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cucurbitacin B

MNXM3953 is deprecated and here replaced by MNXM735349
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735349

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₂H₄₆O₈

charge

mass

558.31927

reference

chebi:3941

InChIKey

IXQKXEUSCPEQRD-DKRGWESNSA-N

InChI

InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/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@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3296416 reactomeM:R-ALL-3296416 CHEBI:3941 chebi:3941	cucurbitacin B (2S,4R,23E)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate 1,2-dihydro-alpha-elaterin 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 25-acetate 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanosta-5,23-dien-25-yl acetate
kegg.compound:C08794 keggC:C08794	Cucurbitacin B
lipidmaps:LMST01010104 lipidmapsM:LMST01010104	Cucurbitacin B O8 ST 32:6
seed.compound:cpd05699 seedM:cpd05699	Cucurbitacin B cucurbitacin B
metacyc.compound:CPD-5202 metacycM:CPD-5202	cucurbitacin B
keggC:M_C08794 seedM:M_cpd05699	secondary/obsolete/fantasy identifier