CHEBI:198546 - Ganoboninketal 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 Ganoboninketal C
ChEBI ID CHEBI:198546
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/c1-9-30-14-13-28(7,39-30)31(40-30)15-12-27(6)29(31)17-22(34)25-26(5,11-10-24(35)36-8)21(19(2)3)16-23(38-20(4)33)32(25,27)37-18-29/h21,23,25H,2,9-18H2,1,3-8H3/t21-,23-,25+,26-,27+,28-,29+,30-,31-,32-/m0/s1
InChIKey ZDSCEDBLFYKSDB-JXYXQROOSA-N
SMILES O=C1[C@@H]2[C@]([C@H](C(=C)C)C[C@@H]([C@]23OC[C@@]4(C1)[C@]5(O[C@]6(CC[C@@]5(O6)C)CC)CC[C@@]34C)OC(=O)C)(CCC(=O)OC)C
Metabolite of Species Details
Ganoderma boninense (NCBI:txid34458) See: PubMed
ChEBI Ontology
Outgoing Ganoboninketal C (CHEBI:198546) is a prostanoid (CHEBI:26347)
IUPAC Name
methyl 3-[(1S,1'S,4R,4'S,5S,6S,8S,9S,10R,13R)-8-acetyloxy-1'-ethyl-4',5,10-trimethyl-3-oxo-6-prop-1-en-2-ylspiro[15-oxatetracyclo[7.4.2.01,10.04,9]pentadecane-13,3'-2,7-dioxabicyclo[2.2.1]heptane]-5-yl]propanoate
Manual Xref Database
58112462 ChemSpider
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