CHEBI:228119 - Ascomindone 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 Ascomindone B
ChEBI ID CHEBI:228119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H28O11
Net Charge 0
Average Mass 600.576
Monoisotopic Mass 600.16316
InChI InChI=1S/C33H28O11/c1-14-6-20(34)28(21(35)7-14)30-26-18(10-16(41-3)12-23(26)37)31(39)27(30)19-11-17(42-4)13-24(38)32(19)44-25-9-15(2)8-22(36)29(25)33(40)43-5/h6-13,34-38H,1-5H3
InChIKey FXCYXHPDCWKIKI-UHFFFAOYSA-N
SMILES O=C1C(C2=C(OC3=C(C(O)=CC(=C3)C)C(=O)OC)C(O)=CC(=C2)OC)=C(C4=C(O)C=C(C)C=C4O)C5=C1C=C(OC)C=C5O
ChEBI Ontology
Outgoing Ascomindone B (CHEBI:228119) is a stilbenoid (CHEBI:26776)
IUPAC Name
methyl 2-[2-[3-(2,6-dihydroxy-4-methylphenyl)-4-hydroxy-6-methoxy-1-oxoinden-2-yl]-6-hydroxy-4-methoxyphenoxy]-6-hydroxy-4-methylbenzoate
Manual Xref Database
60596850 ChemSpider
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