CHEBI:168357 - Ganoderic acid delta

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ganoderic acid delta
ChEBI ID CHEBI:168357
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O7
Net Charge 0
Average Mass 516.675
Monoisotopic Mass 516.30870
InChI InChI=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
InChIKey JTBDTJVGIGEPFI-IZGMBVGMSA-N
SMILES O[C@@H]1[C@@]2([C@@]([C@](C1)([C@@H](C[C@H](O)/C=C(\C)/C(O)=O)C)[H])(CC(=O)C3=C2[C@H](O)C[C@@]4([C@@]3(CCC(=O)C4(C)C)C)[H])C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
78436428 ChemSpider
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