CHEBI:226387 - 1,11-dihydroxychevalone 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 1,11-dihydroxychevalone C
ChEBI ID CHEBI:226387
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H40O7
Net Charge 0
Average Mass 488.621
Monoisotopic Mass 488.27740
InChI InChI=1S/C28H40O7/c1-14-10-17(30)16-11-20-26(5)9-8-19-25(3,4)22(34-15(2)29)12-21(32)28(19,7)23(26)18(31)13-27(20,6)35-24(16)33-14/h10,18-23,31-32H,8-9,11-13H2,1-7H3/t18-,19-,20-,21+,22-,23-,26-,27-,28+/m0/s1
InChIKey JAIMGPMKHPKLLV-ZCFSWDOTSA-N
SMILES O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@H](O)C[C@H](OC(=O)C)C5(C)C)C)C)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing 1,11-dihydroxychevalone C (CHEBI:226387) is a organic heterotricyclic compound (CHEBI:26979)
1,11-dihydroxychevalone C (CHEBI:226387) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,2S,11S,13S,14S,15S,16R,18S,20S)-13,16-dihydroxy-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate
Manual Xref Database
78442098 ChemSpider
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