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(Q105344437)
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English
XYDGLABNHGXTRN-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₈H₈₂O₁₉
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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
962.545030404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₈₂O₁₉
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2CO)OC3CC4(C)C(CC(O)C5C(CCC54C)C(OC6OC(CO)C(O)C(O)C6O)(C)CCC=C(C)C)C7(C)CCC(O)C(C)(C)C37)C(O)C(O)C1O
0 references
found in taxon
tomato
1 reference
stated in
Metabolomics of Infected with Leads to Early Detection of Late Blight in Asymptomatic Plants
Panax japonicus
1 reference
stated in
Phytochemical and analytical studies of Panax notoginseng (Burk.) F.H. Chen
Panax ginseng
1 reference
stated in
Phytochemical and analytical studies of Panax notoginseng (Burk.) F.H. Chen
Panax notoginseng
1 reference
stated in
Bioactive saponins and glycosides. XIX. Notoginseng (3): immunological adjuvant activity of notoginsenosides and related saponins: structures of notoginsenosides-L, -M, and -N from the roots of Panax notoginseng (Burk.) F. H. Chen
Identifiers
InChI
InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3
0 references
InChIKey
XYDGLABNHGXTRN-UHFFFAOYSA-N
0 references
PubChem CID
85238297
1 reference
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
ChEBI ID
143055
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
32024240
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039945
1 reference
based on heuristic
inferred from InChIKey
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