CHEBI:225615 - Cladosporinone

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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 Cladosporinone
ChEBI ID CHEBI:225615
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H30O14
Net Charge 0
Average Mass 650.589
Monoisotopic Mass 650.16356
InChI InChI=1S/C33H30O14/c1-43-21-11-19(35)26-17(7-13-6-16(10-24(38)46-4)47-33(42)25(13)31(26)40)28(21)29-18-8-14(5-15(34)9-23(37)45-3)30(39)32(41)27(18)20(36)12-22(29)44-2/h7-8,11-12,15-16,34-36,40H,5-6,9-10H2,1-4H3/t15?,16-/m0/s1
InChIKey ZOQQZBXWLMQSFV-LYKKTTPLSA-N
SMILES O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C5=C4C=C(CC(O)CC(=O)OC)C(C5=O)=O)CC(=O)OC
Metabolite of Species Details
Cladosporium cladosporioides (NCBI:txid29917) See: PubMed
ChEBI Ontology
Outgoing Cladosporinone (CHEBI:225615) is a organic heterotricyclic compound (CHEBI:26979)
Cladosporinone (CHEBI:225615) is a organooxygen compound (CHEBI:36963)
IUPAC Name
methyl 4-[8-[(3S)-9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-5-hydroxy-7-methoxy-3,4-dioxonaphthalen-2-yl]-3-hydroxybutanoate
Manual Xref Database
78438770 ChemSpider
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