CHEBI:200787 - Ganoleuconin C

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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 C
ChEBI ID CHEBI:200787
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H46O8
Net Charge 0
Average Mass 558.712
Monoisotopic Mass 558.31927
InChI InChI=1S/C32H46O8/c1-17(9-8-10-18(2)28(38)39)20-11-14-31(6)24-21(35)15-22-29(4,13-12-23(36)30(22,5)16-33)25(24)26(37)27(32(20,31)7)40-19(3)34/h10,17,20-22,27,33,35H,8-9,11-16H2,1-7H3,(H,38,39)/b18-10+/t17-,20-,21+,22-,27+,29+,30+,31+,32+/m1/s1
InChIKey IFIDRYXKWRSXFG-ZUJCHVHWSA-N
SMILES O=C1C2=C([C@@]3(CC[C@@H]([C@]3([C@H]1OC(=O)C)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 C (CHEBI:200787) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E,6R)-6-[(4R,5R,7S,10S,12R,13R,14R,17R)-12-acetyloxy-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
59000153 ChemSpider
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