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phorbol 13-butanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5264

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₄H₃₄O₇

charge

mass

434.23045

reference

chebi:17727

InChIKey

FZXHDWWEDNRATG-JUDMOCROSA-N

InChI

InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1

SMILES

CCCC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17727 chebi:17727	phorbol 13-butanoate (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl butyrate Phorbol 13-butanoate
kegg.compound:C03019 keggC:C03019	Phorbol 13-butanoate
seed.compound:cpd01935 seedM:cpd01935	Phorbol 13-butanoate phorbol 13-butanoate
metacyc.compound:PHORBOL-13-BUTANOATE metacycM:PHORBOL-13-BUTANOATE	phorbol 13-butanoate
chebi:14790 chebi:26017 chebi:8119 keggC:M_C03019 seedM:M_cpd01935	secondary/obsolete/fantasy identifier