CHEBI:226803 - Deschloro-merochlorin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Deschloro-merochlorin B
ChEBI ID CHEBI:226803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30O4
Net Charge 0
Average Mass 394.511
Monoisotopic Mass 394.21441
InChI InChI=1S/C25H30O4/c1-14(2)7-6-8-24(5)21-9-16(15(3)4)13-25(21)18-10-17(26)11-19(27)23(18)20(28)12-22(25)29-24/h7,10-12,21,26-27H,6,8-9,13H2,1-5H3/t21-,24-,25+/m0/s1
InChIKey AKXGRVOOWGJLFD-GVXSCFBNSA-N
SMILES O=C1C2=C(O)C=C(O)C=C2[C@@]34[C@@H](CC(C3)=C(C)C)[C@@](OC4=C1)(CCC=C(C)C)C
Metabolite of Species Details
Streptomycesspecies CNH189 (NCBI:txid1136432) See: PubMed
ChEBI Ontology
Outgoing Deschloro-merochlorin B (CHEBI:226803) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1S,12S,13R)-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-enyl)-15-propan-2-ylidene-11-oxatetracyclo[8.6.0.01,13.02,7]hexadeca-2(7),3,5,9-tetraen-8-one
Manual Xref Database
34981308 ChemSpider
View more database links