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phorbol 13-butanoate

PropertiesImage
MNX_IDMNXM5264 Image of MNXM5264
referencechebi:17727
formulaC24H34O7
global charge0
mol weight434.529
InChIKeyFZXHDWWEDNRATG-JUDMOCROSA-N
InChIInChI=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
SMILESCCCC(=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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM5264
SMILES (mnx)[CH3:1][CH2:6][CH2:7][C:17](=[O:26])[O:31][C@:24]12[C@H:18]([C@@H:15]3[CH:9]=[C:14]([CH2:11][OH:25])[CH2:10][C@@:22]4([OH:29])[C@@H:16]([CH:8]=[C:12]([CH3:2])[C:19]4=[O:27])[C@@:23]3([OH:30])[C@H:13]([CH3:3])[C@H:20]1[OH:28])[C:21]2([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17727
chebi:17727
FZXHDWWEDNRATG-JUDMOCROSA-N 		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
FZXHDWWEDNRATG-JUDMOCROSA-N 		Phorbol 13-butanoate

seed.compound:cpd01935
seedM:cpd01935
FZXHDWWEDNRATG-JUDMOCROSA-N 		Phorbol 13-butanoate
phorbol 13-butanoate

metacyc.compound:PHORBOL-13-BUTANOATE
metacycM:PHORBOL-13-BUTANOATE
FZXHDWWEDNRATG-JUDMOCROSA-N 		phorbol 13-butanoate

chebi:14790
chebi:26017
chebi:8119
keggC:M_C03019
seedM:M_cpd01935 		secondary/obsolete/fantasy identifier