CHEBI:203776 - Austalide H acid

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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 Austalide H acid
ChEBI ID CHEBI:203776
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O8
Net Charge 0
Average Mass 462.539
Monoisotopic Mass 462.22537
InChI InChI=1S/C25H34O8/c1-12-14-11-32-22(29)18(14)20(31-6)13-9-16-24(4,8-7-17(27)28)21(23(2,3)30)15(26)10-25(16,5)33-19(12)13/h15-16,21,26,30H,7-11H2,1-6H3,(H,27,28)/t15-,16-,21+,24-,25+/m1/s1
InChIKey NNOMPFCNQCRAIO-JSGMTKEVSA-N
SMILES O=C1OCC=2C1=C(OC)C3=C(O[C@]4(C[C@@H](O)[C@H]([C@@]([C@H]4C3)(CCC(=O)O)C)C(O)(C)C)C)C2C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Austalide H acid (CHEBI:203776) is a xanthenes (CHEBI:38835)
IUPAC Name
3-[(5aS,7R,8S,9R,9aR)-7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoic acid
Manual Xref Database
32674947 ChemSpider
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