CHEBI:80718 - Oscillatoxin A

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ChEBI Name Oscillatoxin A
ChEBI ID CHEBI:80718
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H46O10
Net Charge 0
Average Mass 578.69090
Monoisotopic Mass 578.30910
InChI InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28+,30-,31-/m0/s1
InChIKey GKTXURNRIDXUNG-IYYTYHDMSA-N
SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@H](CO)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1
ChEBI Ontology
Outgoing Oscillatoxin A (CHEBI:80718) is a macrolide (CHEBI:25106)
Manual Xref Database
C16771 KEGG COMPOUND
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Registry Number Type Source
66671-95-2 CAS Registry Number KEGG COMPOUND