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cucurbitacin E 2-O-beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM104111

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

formula

C₃₈H₅₄O₁₃

charge

mass

718.35644

reference

chebi:68916

InChIKey

QKEJRKXVLGOJMB-YYBMGDPWSA-N

InChI

InChI=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+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1

SMILES

CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:68916 chebi:68916	cucurbitacin E 2-O-beta-D-glucopyranoside (4R,9beta,16alpha,23E)-2-(beta-D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate
hmdb:HMDB0035893	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