CHEBI:198559 - Ganoleuconin A

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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 Ganoleuconin A
ChEBI ID CHEBI:198559
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O6
Net Charge 0
Average Mass 500.676
Monoisotopic Mass 500.31379
InChI InChI=1S/C30H44O6/c1-17(8-7-9-18(2)26(35)36)19-10-13-29(5)25-20(32)14-22-27(3,12-11-23(34)28(22,4)16-31)24(25)21(33)15-30(19,29)6/h9,17,19-20,22,31-32H,7-8,10-16H2,1-6H3,(H,35,36)/b18-9+/t17-,19-,20+,22-,27+,28+,29+,30-/m1/s1
InChIKey BXIVNEDAKFDOSD-SINRGWJHSA-N
SMILES O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC([C@]4(CO)C)=O)C
Metabolite of Species Details
Ganoderma leucocontextum (NCBI:txid1566825) See: PubMed
ChEBI Ontology
Outgoing Ganoleuconin A (CHEBI:198559) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E,6R)-6-[(4R,5R,7S,10S,13R,14R,17R)-7-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual Xref Database
59003595 ChemSpider
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