CHEBI:212624 - (6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one

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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 (6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one
ChEBI ID CHEBI:212624
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O5
Net Charge 0
Average Mass 350.370
Monoisotopic Mass 350.11542
InChI InChI=1S/C21H18O5/c1-26-21-18-11-6-8-14(24)19-13(23)7-5-10(16(11)19)15(18)9-3-2-4-12(22)17(9)20(21)25/h2-4,6,8,18,20-22,24-25H,5,7H2,1H3/t18-,20+,21-/m1/s1
InChIKey XAABSYWNTKOZII-HLAWJBBLSA-N
SMILES O=C1C2=C(O)C=CC3=C2C(=C4C5=C(C(O)=CC=C5)[C@@H]([C@@H]([C@H]34)OC)O)CC1
Metabolite of Species Details
Cladosporium cf. cladosporioides (NCBI:txid2175244) See: PubMed
ChEBI Ontology
Outgoing (6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one (CHEBI:212624) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(9S,10R,11R)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one
Manual Xref Database
9286032 ChemSpider
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