CHEBI:80738 - Cascaroside C

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ChEBI Name Cascaroside C
ChEBI ID CHEBI:80738
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB6286495, eMolecules:26750917
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Formula C27H32O13
Net Charge 0
Average Mass 564.53520
Monoisotopic Mass 564.18429
InChI InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey GQPFUOPPYJYZHE-ZHVWOXMGSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3[C@H](C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1
ChEBI Ontology
Outgoing Cascaroside C (CHEBI:80738) is a anthracenes (CHEBI:46955)
Manual Xref Database
C16801 KEGG COMPOUND
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Registry Number Type Source
53823-09-9 CAS Registry Number KEGG COMPOUND