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CHEBI:225502 - Svalbardine B

ChEBI IDCHEBI:225502
ChEBI NameSvalbardine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O12
Net Charge0
Average Mass604.564
Monoisotopic Mass604.15808
SMILESCOC(=O)c1cc(OC)cc(O)c1C(=O)C1=C2C=C(C)OC(C)=C2C(=O)[C@]2(COc3cc(OC)cc(C(=O)OC)c3C2=O)C1
InChIInChI=1S/C32H28O12/c1-14-7-18-21(27(34)25-19(30(37)41-5)8-16(39-3)10-22(25)33)12-32(28(35)24(18)15(2)44-14)13-43-23-11-17(40-4)9-20(31(38)42-6)26(23)29(32)36/h7-11,33H,12-13H2,1-6H3/t32-/m1/s1
InChIKeyICTAKQAMVHAORS-JGCGQSQUSA-N
Species of MetaboliteComponentSourceComments
Poaceicola (ncbitaxon:1821268) - PubMed (33233893)
ChEBI Ontology
Outgoing Relation(s)
Svalbardine B (CHEBI:225502) is a chromones (CHEBI:23238)
IUPAC Name 
methyl 5'-(2-hydroxy-4-methoxy-6-methoxycarbonylbenzoyl)-7-methoxy-1',3'-dimethyl-4,8'-dioxospiro[2H-chromene-3,7'-6H-isochromene]-5-carboxylate