CHEBI:176206 - 2'',3''-Diacetylcosmosiin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 2'',3''-Diacetylcosmosiin
ChEBI ID CHEBI:176206
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H24O12
Net Charge 0
Average Mass 516.455
Monoisotopic Mass 516.12678
InChI InChI=1S/C25H24O12/c1-11(27)33-23-22(32)20(10-26)37-25(24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3
InChIKey RLRNEHZJFFGOEN-UHFFFAOYSA-N
SMILES O1C(C(O)C(OC(=O)C)C(OC(=O)C)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO
ChEBI Ontology
Outgoing 2'',3''-Diacetylcosmosiin (CHEBI:176206) is a flavonoids (CHEBI:72544)
2'',3''-Diacetylcosmosiin (CHEBI:176206) is a glycoside (CHEBI:24400)
IUPAC Name
[3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate
Manual Xref Database
HMDB0037343 HMDB
View more database links