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fusicoccin

MNXM54071 is deprecated and here replaced by MNXM726231
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726231 Image of MNXM726231
referencechebi:51015
formulaC36H56O12
global charge0
mol weight680.832
InChIKeyKXTYBXCEQOANSX-WYKQKOHHSA-N
InChIInChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
SMILESC=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1 Image of MNXM726231
SMILES (mnx)[CH2:1]=[CH:10][C:35]([CH3:6])([CH3:7])[O:45][CH2:17][C@@H:26]1[C@@H:30]([OH:41])[C@H:33]([O:46][C:21]([CH3:5])=[O:38])[C@@H:31]([OH:42])[C@@H:34]([O:48][C@@H:32]2[C:28]3=[C:24]([C@H:18]([CH3:2])[CH2:15][O:44][C:20]([CH3:4])=[O:37])[CH2:13][C@H:27]([OH:39])[C@:36]3([CH3:8])/[CH:14]=[C:25]3/[C@@H:22]([CH2:16][O:43][CH3:9])[CH2:11][CH2:12][C@H:23]3[C@@H:19]([CH3:3])[C@H:29]2[OH:40])[O:47]1
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:51015
chebi:51015
KXTYBXCEQOANSX-WYKQKOHHSA-N 		fusicoccin
(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-{[3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-alpha-D-glucopyranosyl]oxy}-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate
FUSICOCCIN

seed.compound:cpd23587
seedM:cpd23587
KXTYBXCEQOANSX-WYKQKOHHSA-N 		diterpene glycoside
fuscicoccin A
fusicoccin

metacyc.compound:CPD-12803
metacycM:CPD-12803
KXTYBXCEQOANSX-WYKQKOHHSA-N 		fuscicoccin A
diterpene glycoside
fusicoccin

chebi:24132
chebi:42580
seedM:M_cpd23587 		secondary/obsolete/fantasy identifier