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CHEBI:212939 - 3beta-hydroxyganodernoid D

Default Structure
ChEBI IDCHEBI:212939
ChEBI Name3beta-hydroxyganodernoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESCC(CC(=O)CC(C)C(=O)O)=C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h16,21-22,34H,8-14H2,1-7H3,(H,36,37)/t16?,21-,22-,28-,29+,30-/m0/s1
InChIKeyFWDQERNWSKUHAW-PDWWPXIASA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1016/j.phytol.2016.03.007)
ChEBI Ontology
Outgoing Relation(s)
3beta-hydroxyganodernoid D (CHEBI:212939) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-[(3S,5R,10S,13R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12-hexahydrocyclopenta[a]phenanthren-17-ylidene]-2-methyl-4-oxoheptanoic acid
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78442316ChemSpider