CHEBI:215371 - Ganoboninone H

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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 Ganoboninone H
ChEBI ID CHEBI:215371
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H44O7
Net Charge 0
Average Mass 528.686
Monoisotopic Mass 528.30870
InChI InChI=1S/C31H44O7/c1-8-20(33)9-14-30(7)24-10-13-29(6)27-23(38-19(4)32)15-21(18(2)3)28(5,12-11-25(35)36)26(27)22(34)16-31(24,29)17-37-30/h21,23-24H,2,8-17H2,1,3-7H3,(H,35,36)/t21-,23-,24+,28-,29-,30+,31-/m0/s1
InChIKey DCXSLOVKLLXMQB-IOBQGPHZSA-N
SMILES O=C1C2=C([C@@]3(CC[C@H]4[C@]3(C1)CO[C@@]4(CCC(=O)CC)C)C)[C@@H](OC(=O)C)C[C@H]([C@@]2(CCC(=O)O)C)C(=C)C
Metabolite of Species Details
Ganoderma orbiforme (NCBI:txid1236583) See: DOI
ChEBI Ontology
Outgoing Ganoboninone H (CHEBI:215371) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
3-[(1S,5S,6S,8S,10R,13S,14R)-8-acetyloxy-5,10,14-trimethyl-3-oxo-14-(3-oxopentyl)-6-prop-1-en-2-yl-15-oxatetracyclo[8.6.0.01,13.04,9]hexadec-4(9)-en-5-yl]propanoic acid