CHEBI:222890 - Lichenicolin B

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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 Lichenicolin B
ChEBI ID CHEBI:222890
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H26O13
Net Charge 0
Average Mass 630.558
Monoisotopic Mass 630.13734
InChI InChI=1S/C33H26O13/c1-9-4-16-30(43-9)13-6-11-7-15(42-3)22(26(36)18(11)25(35)20(13)32(40)45-16)23-28(38)19-12(24(34)29(23)39)8-14-21(27(19)37)33(41)46-17-5-10(2)44-31(14)17/h6-10,16-17,30-31,35-38H,4-5H2,1-3H3/t9-,10-,16-,17-,30-,31-/m1/s1
InChIKey FUPVZZMBEOVWCT-CWFVKZMHSA-N
SMILES O=C1O[C@H]2[C@H](O[C@@H](C2)C)C=3C1=C(O)C=4C(O)=C(C(=O)C(C4C3)=O)C5=C(O)C6=C(O)C=7C(=O)O[C@@H]8C[C@H](O[C@@H]8C7C=C6C=C5OC)C
ChEBI Ontology
Outgoing Lichenicolin B (CHEBI:222890) is a organic heterotricyclic compound (CHEBI:26979)
Lichenicolin B (CHEBI:222890) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(11R,13R,15R)-5-[(11R,13R,15R)-2,4-dihydroxy-6-methoxy-13-methyl-17-oxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8-pentaen-5-yl]-2,4-dihydroxy-13-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,9-tetraene-6,7,17-trione
Manual Xref Database
9867774 ChemSpider
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