CHEBI:203857 - Cercosporene B

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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 Cercosporene B
ChEBI ID CHEBI:203857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=1S/C20H26O5/c1-10(9-21)15-18(25)17(24)13-7-12-11(2)16(23)14(22)8-19(12,3)5-6-20(13,15)4/h7,10,14,21-22,25H,5-6,8-9H2,1-4H3/t10-,14-,19-,20+/m1/s1
InChIKey XUINLCMVOIWOKB-WQILTUSXSA-N
SMILES O=C1C(=C2C=C3C(=O)C(O)=C([C@@]3(C)CC[C@]2(C)C[C@H]1O)[C@@H](CO)C)C
Metabolite of Species Details
Cercosporaspecies (NCBI:txid1707699) See: PubMed
ChEBI Ontology
Outgoing Cercosporene B (CHEBI:203857) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(3aR,5aR,7R)-2,7-dihydroxy-3-[(2S)-1-hydroxypropan-2-yl]-3a,5a,9-trimethyl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione
Manual Xref Database
34236893 ChemSpider
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