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CHEBI:197009 - Evasterioside D

ChEBI IDCHEBI:197009
ChEBI NameEvasterioside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O10
Net Charge0
Average Mass614.817
Monoisotopic Mass614.40300
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@]3([H])[C@H](C)CC[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(C)C)[C@]1(O)C[C@H](O)[C@@]1([H])C[C@@H](O)CC[C@]21C
InChIInChI=1S/C33H58O10/c1-16(2)23(42-30-28(40)27(39)26(38)24(15-34)43-30)7-6-17(3)19-13-21(36)29-32(19,5)11-9-25-31(4)10-8-18(35)12-20(31)22(37)14-33(25,29)41/h16-30,34-41H,6-15H2,1-5H3/t17-,18+,19-,20-,21-,22+,23+,24?,25-,26-,27+,28?,29-,30-,31+,32-,33+/m1/s1
InChIKeyNJUBTRJEDROBQK-NDCCWVCPSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Evasterioside D (CHEBI:197009) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol
Manual XrefsDatabases
LMST05050009LIPID MAPS