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Elaterinide

MNXM104111 is deprecated and here replaced by MNXM1363497
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363497 Image of MNXM1363497
referencechebi:186118
formulaC38H54O13
global charge0
mol weight718.837
InChIKeyQKEJRKXVLGOJMB-OUKQBFOZSA-N
InChIInChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+
SMILESCC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C
MNX internals
InChI (mnx)InChI=1/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20?,21?,23?,24?,27?,28?,29?,30?,32?,35?,36?,37?,38? Image of MNXM1363497
SMILES (mnx)[CH3:1][C:18](=[O:40])[O:51][C:33]([CH3:2])([CH3:3])/[CH:13]=[CH:12]/[C:25]([C:38]([CH3:9])([CH:30]1[CH:21]([OH:41])[CH2:15][C:35]2([CH3:6])[CH:24]3[CH2:11][CH:10]=[C:19]4[CH:20]([CH:14]=[C:22]([O:49][CH:32]5[CH:29]([OH:46])[CH:28]([OH:45])[CH:27]([OH:44])[CH:23]([CH2:17][OH:39])[O:50]5)[C:31](=[O:47])[C:34]4([CH3:4])[CH3:5])[C:37]3([CH3:8])[C:26](=[O:43])[CH2:16][C:36]12[CH3:7])[OH:48])=[O:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:186118
chebi:186118
QKEJRKXVLGOJMB-OUKQBFOZSA-N 		Elaterinide
[(E)-6-hydroxy-6-[16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
hmdb:HMDB0035893
QKEJRKXVLGOJMB-OUKQBFOZSA-N 		Elaterinide
(3E)-6-Hydroxy-6-(13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-dien-14-yl)-2-methyl-5-oxohept-3-en-2-yl acetic acid
(3E)-6-hydroxy-6-(13-hydroxy-1,6,6,11,15-pentamethyl-5,17-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-dien-14-yl)-2-methyl-5-oxohept-3-en-2-yl acetate
2-O-beta-D-Glycopyranosyl-cucurbitacin e
CUEG
Colocynthin
Coloside a
Cucurbitacin e 2-O-beta-D-glucopyranoside
Cucurbitacin e-2-O-glucoside
Elaterin, 2-beta-glucopyranoside
Gratiotoxin
alpha-Elaterin 2-D-glucopyranoside
beta-Glucoside de la curcurbitaine (e)

hmdb:HMDB35893 		secondary/obsolete/fantasy identifier