CHEBI:80782 - Callystatin A

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ChEBI Name Callystatin A
ChEBI ID CHEBI:80782
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H44O4
Net Charge 0
Average Mass 456.65730
Monoisotopic Mass 456.32396
InChI InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1
InChIKey QPJTWGLLJWBDQW-KMMMXHTBSA-N
SMILES CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(C)\C=C\C[C@@H](C)\C=C(CC)/C=C/[C@H]1CC=CC(=O)O1
ChEBI Ontology
Outgoing Callystatin A (CHEBI:80782) is a diterpenoid (CHEBI:23849)
Manual Xref Database
C16891 KEGG COMPOUND
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Registry Number Type Source
189883-16-7 CAS Registry Number KEGG COMPOUND