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(Q105384643)
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English
2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
group of stereoisomers with the chemical formula C₄₂H₇₀O₁₂
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
protostane/dammarane triterpenoid
1 reference
inferred from
protostane/dammarane triterpenoid
mass
766.9996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₂H₇₀O₁₂
0 references
canonical SMILES
OCC1OC(OC2CC3(C)C(CC(O)C4C(C(=C)CCC=C(C)C)CCC43C)C5(C)CCC(O)C(C)(C)C25)C(OC6OC(C)C(O)C(O)C6O)C(O)C1O
0 references
Identifiers
InChI
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3
0 references
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
0 references
PubChem CID
75231332
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
UniChem compound ID
31999313
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308569
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308570
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308575
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308576
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308582
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308583
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308588
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308589
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308595
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308596
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308601
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308602
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308665
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308673
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308532
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308533
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308539
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308540
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308544
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308545
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308549
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308550
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308556
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308557
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308563
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308564
1 reference
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0039701
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZVTVWDXRNMHGNY-UHFFFAOYSA-N
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