CHEBI:3446 - Cascaroside A

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ChEBI Name Cascaroside A
ChEBI ID CHEBI:3446
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32O14
Net Charge 0
Average Mass 580.536
Monoisotopic Mass 580.17921
InChI InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey MNAYRSRTNMVAPR-ZHVWOXMGSA-N
SMILES OC[C@H]1O[C@@H](Oc2cccc3[C@H](C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4cc(CO)cc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Cascaroside A (CHEBI:3446) is a anthracenes (CHEBI:46955)
Synonym Source
Cascaroside A KEGG COMPOUND
Manual Xrefs Databases
C00002799 KNApSAcK
C10307 KEGG COMPOUND
View more database links
Registry Number Type Source
53823-08-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014