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CHEBI:190745 - Heliantriol C

Default Structure
ChEBI IDCHEBI:190745
ChEBI NameHeliantriol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(C[C@H](O)[C@@]4(C)[C@@H](O)C=C(C)[C@@H](C)[C@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3/t18-,19-,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1
InChIKeySCAPWGHHHZEERU-DVYMRSPSSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Heliantriol C (CHEBI:190745) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4aR,6aR,6aR,6bR,8S,8aS,9S,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8,9-triol
Manual XrefsDatabases
352737ChemSpider