Callystatin A (CHEBI:80782)

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CHEBI:80782 - Callystatin A

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ChEBI ID	CHEBI:80782
ChEBI Name	Callystatin A
Stars
Downloads	Molfile

Formula	C29H44O4
Net Charge	0
Average Mass	456.667
Monoisotopic Mass	456.32396
SMILES	CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@H]1CC=CC(=O)O1
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

ChEBI Ontology

Outgoing Relation(s)
	Callystatin A (CHEBI:80782) is a diterpenoid (CHEBI:23849)

Manual Xrefs	Databases
C16891	KEGG COMPOUND

Registry Numbers	Sources
CAS:189883-16-7	KEGG COMPOUND