CHEBI:81329 - Gambiriin B2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gambiriin B2
ChEBI ID CHEBI:81329
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H26O11
Net Charge 0
Average Mass 562.52080
Monoisotopic Mass 562.14751
InChI InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)22(37)5-12)28-26(40-25)11-21(36)16-9-24(39)29(41-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24-25,27,29,31-39H,9-10H2/t24-,25-,27-,29-/m0/s1
InChIKey HLOYODWMNGTCGH-JVGXHWGJSA-N
SMILES O[C@H]1Cc2c(O)cc3O[C@@H](Cc4c(O)cc(O)cc4O)[C@@H](c3c2O[C@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing Gambiriin B2 (CHEBI:81329) is a catechin (CHEBI:23053)
Manual Xref Database
C17776 KEGG COMPOUND
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