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CHEBI:168357 - Ganoderic acid delta

Default Structure
ChEBI IDCHEBI:168357
ChEBI NameGanoderic acid delta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILES[H][C@@]12C[C@@H](O)C3=C(C(=O)C[C@]4(C)[C@@]([H])([C@H](C)C[C@H](O)/C=C(\C)C(=O)O)C[C@H](O)[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H44O7/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/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,19-,21+,23+,28+,29-,30+/m1/s1
InChIKeyJTBDTJVGIGEPFI-IZGMBVGMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid delta (CHEBI:168357) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,4S,6R)-6-[(5R,7R,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid
Manual XrefsDatabases
78436428ChemSpider