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sporulenol

MNXM97170 is deprecated and here replaced by MNXM1112490
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1112490 Image of MNXM1112490
referencechebi:67182
formulaC35H58O
global charge0
mol weight494.848
InChIKeyXKBZJGQFALBSTF-HVUBKZQBSA-N
InChIInChI=1S/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3/t25-,27+,28-,29+,30-,32+,33-,34+,35-/m1/s1
SMILESCC1=CCC([C@H](C)CC[C@@H]2[C@@]3(C)CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)CCC[C@]45C)[C@@H]3CC[C@@]2(C)O)=CC1
MNX internals
InChI (mnx)InChI=1/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3/t25-,27+,28-,29+,30-,32+,33-,34+,35-/m1/s1 Image of MNXM1112490
SMILES (mnx)[CH3:1][C:24]1=[CH:10][CH2:13][C:26]([C@H:25]([CH3:2])[CH2:12][CH2:15][C@@H:30]2[C@@:34]3([CH3:7])[CH2:22][CH2:17][C@@H:28]4[C@@:32]5([CH3:5])[CH2:20][CH2:9][CH2:19][C:31]([CH3:3])([CH3:4])[C@@H:27]5[CH2:16][CH2:21][C@@:33]4([CH3:6])[C@@H:29]3[CH2:18][CH2:23][C@@:35]2([CH3:8])[OH:36])=[CH:14][CH2:11]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67182
chebi:67182
XKBZJGQFALBSTF-HVUBKZQBSA-N 		sporulenol
(2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[(3R)-3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]octadecahydrochrysen-2-ol

seed.compound:cpd31125
seedM:cpd31125
kegg.compound:C20475
keggC:C20475
XKBZJGQFALBSTF-HVUBKZQBSA-N 		Sporulenol
(1R,2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-Hexamethyl-1-[(3R)-3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]octadecahydrochrysen-2-ol

metacyc.compound:CPD-14311
metacycM:CPD-14311
seed.compound:cpd24288
seedM:cpd24288
XKBZJGQFALBSTF-GAXFIYHWSA-N
XKBZJGQFALBSTF-HVUBKZQBSA-N 		sporulenol

keggC:M_C20475
seedM:M_cpd24288
seedM:M_cpd31125 		secondary/obsolete/fantasy identifier