CHEBI:211570 - Ganoleuconin I

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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 I
ChEBI ID CHEBI:211570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-18(8-7-9-19(16-31)17-32)21-14-25(35)30(6)20-10-11-23-27(2,3)24(34)12-13-28(23,4)26(20)22(33)15-29(21,30)5/h9,18,21,23,25,31-32,35H,7-8,10-17H2,1-6H3/t18-,21-,23+,25-,28+,29-,30-/m1/s1
InChIKey NCWPXHMUBMRCHV-KEMHIYJBSA-N
SMILES O=C1C2=C([C@@]3([C@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CCC=C(CO)CO)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Metabolite of Species Details
Ganoderma leucocontextum (NCBI:txid1566825) See: PubMed
ChEBI Ontology
Outgoing Ganoleuconin I (CHEBI:211570) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5R,10S,13R,14R,15R,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Manual Xref Database
59002630 ChemSpider
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