Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q104391070)
Watch
English
Dehydrotomatine
group of stereoisomers with the chemical formula C₅₀H₈₁NO₂₁
In more languages
edit
Statements
instance of
group of stereoisomers
0 references
subclass of
spirosolane alkaloid
1 reference
inferred from
spirosolane alkaloid
mass
1,031.530108612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₀H₈₁NO₂₁
0 references
canonical SMILES
OCC1OC(OC2C(OC(CO)C(O)C2OC3OCC(O)C(O)C3O)OC4C(O)C(O)C(OC5CC6=CCC7C(CCC8(C)C7CC9OC%10(NCC(C)CC%10)C(C)C98)C6(C)CC5)OC4CO)C(O)C(O)C1O
0 references
found in taxon
tomato
2 references
stated in
Metabolomics of Infected with Leads to Early Detection of Late Blight in Asymptomatic Plants
stated in
Dehydrotomatine Content in Tomatoes†
Identifiers
InChI
InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3
0 references
InChIKey
BYMOGFTUZUEFHY-UHFFFAOYSA-N
0 references
PubChem CID
131751243
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
ChEBI ID
143063
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3
UniChem compound ID
32009229
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308989
1 reference
InChIKey
BYMOGFTUZUEFHY-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310718
1 reference
InChIKey
BYMOGFTUZUEFHY-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
HMDB0032002
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BYMOGFTUZUEFHY-UHFFFAOYSA-N
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
