CHEBI:176225 - Calendoflaside

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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 Calendoflaside
ChEBI ID CHEBI:176225
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O15
Net Charge 0
Average Mass 608.549
Monoisotopic Mass 608.17412
InChI InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3
InChIKey FZQRUXCCSWOZFJ-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)C
ChEBI Ontology
Outgoing Calendoflaside (CHEBI:176225) is a flavonoids (CHEBI:72544)
Calendoflaside (CHEBI:176225) is a glycoside (CHEBI:24400)
IUPAC Name
3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual Xref Database
HMDB0038819 HMDB
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