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CHEBI:215757 - Ganorbiformin E

Default Structure
ChEBI IDCHEBI:215757
ChEBI NameGanorbiformin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
SMILESCC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O
InChIInChI=1S/C32H48O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,23-25,34H,10-17H2,1-8H3,(H,36,37)/t19-,21+,23+,24-,25-,30+,31+,32-/m0/s1
InChIKeyNQOCOYQAQQQJKJ-FKFTWZIOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (23280041)
ChEBI Ontology
Outgoing Relation(s)
Ganorbiformin E (CHEBI:215757) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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78442080ChemSpider