CHEBI:226297 - Mycopyranone

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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 Mycopyranone
ChEBI ID CHEBI:226297
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H46O12
Net Charge 0
Average Mass 718.796
Monoisotopic Mass 718.29893
InChI InChI=1S/C40H46O12/c1-7-17(3)9-11-23-33(41)21-13-19-15-25(49-5)31(37(45)27(19)35(43)29(21)39(47)51-23)32-26(50-6)16-20-14-22-30(36(44)28(20)38(32)46)40(48)52-24(34(22)42)12-10-18(4)8-2/h13-18,23-24,33-34,41-46H,7-12H2,1-6H3/t17?,18?,23-,24-,33-,34-/m1/s1
InChIKey RWINYNPREAPYCX-FAAPOAQPSA-N
SMILES O=C1O[C@@H]([C@H](O)C=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)O[C@H](CCC(CC)C)[C@@H](C6C=C5C=C4OC)O)=C(OC)C=C3C2)CCC(CC)C
Metabolite of Species Details
Thyridium (NCBI:txid265082) See: PubMed
ChEBI Ontology
Outgoing Mycopyranone (CHEBI:226297) is a organic heterotricyclic compound (CHEBI:26979)
Mycopyranone (CHEBI:226297) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4R)-4,9,10-trihydroxy-7-methoxy-3-(3-methylpentyl)-8-[(3R,4R)-4,9,10-trihydroxy-7-methoxy-3-(3-methylpentyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-3,4-dihydrobenzo[g]isochromen-1-one