CHEBI:183581 - Acinospesigenin 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 Acinospesigenin A
ChEBI ID CHEBI:183581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H50O6
Net Charge 0
Average Mass 530.746
Monoisotopic Mass 530.36074
InChI InChI=1S/C32H50O6/c1-19(34)38-24-10-12-29(5)22(31(24,7)18-33)8-11-28(4)21-9-13-32(26(36)37)15-14-27(2,3)17-23(32)30(21,6)16-20(35)25(28)29/h9,20,22-25,33,35H,8,10-18H2,1-7H3,(H,36,37)/t20?,22?,23-,24-,25?,28-,29-,30+,31-,32+/m0/s1
InChIKey JJFCAFYUQNMBBV-UHBAAPTMSA-N
SMILES OC1C2[C@@]3(C([C@@]([C@@H](OC(=O)C)CC3)(CO)C)CC[C@]2(C=4[C@]([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])(C1)C)C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) Found in fruit body (BTO:0000487). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) Found in primordium (BTO:0001886). See: MetaboLights Study
ChEBI Ontology
Outgoing Acinospesigenin A (CHEBI:183581) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name
(4aS,6bR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
Manual Xref Database
24846842 ChemSpider
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