CHEBI:225041 - Cardinalin 11

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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 Cardinalin 11
ChEBI ID CHEBI:225041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38O11
Net Charge 0
Average Mass 598.645
Monoisotopic Mass 598.24141
InChI InChI=1S/C32H38O11/c1-11-7-15-20(13(3)42-11)27(34)21-16(26(15)33)8-18(40-5)23(28(21)35)24-19(41-6)9-17-22(29(24)36)30(37)25-14(4)43-12(2)10-32(25,39)31(17)38/h8-9,11-15,20,25-26,31,33,35-36,38-39H,7,10H2,1-6H3/t11-,12-,13+,14+,15+,20+,25-,26+,31-,32-/m0/s1
InChIKey ROKFBJGGCFNGBG-LOOWBDPDSA-N
SMILES O=C1C2=C(O)C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)=C(OC)C=C2[C@H](O)[C@]6([C@H]1[C@H](O[C@H](C6)C)C)O
Metabolite of Species Details
Cortinarius cardinalis (NCBI:txid183877) See: DOI
ChEBI Ontology
Outgoing Cardinalin 11 (CHEBI:225041) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(1R,3S,4aS,5S,10aR)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-4a,5,9-trihydroxy-7-methoxy-1,3-dimethyl-3,4,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
Manual Xref Database
78438302 ChemSpider
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