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thaliandiol

PropertiesImage
MNX_IDMNXM13022 Image of MNXM13022
referencechebi:73157
formulaC30H46O*4
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C1C2=C(C([*])C([*])[C@]2(C)[C@H](C)CC/C=C(\C)CCC=C(C)C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C1[*]
MNX internals
InChI (mnx)InChI=1/C34H58O/c1-21(2)15-13-16-22(3)17-14-18-23(4)34(12)27(8)26(7)29-30(34)24(5)25(6)31-32(9,10)28(35)19-20-33(29,31)11/h15,17,23-28,31,35H,13-14,16,18-20H2,1-12H3/b22-17+/t23-,24?,25?,26?,27?,28+,31+,33-,34+/m1/s1/i5+1,6+1,7+1,8+1 Image of MNXM13022
SMILES (mnx)[CH3:1][C:21]([CH3:2])=[CH:15][CH2:13][CH2:16]/[C:22]([CH3:3])=[CH:17]/[CH2:14][CH2:18][C@@H:23]([CH3:4])[C@@:34]1([CH3:12])[CH:27]([13CH3:8])[CH:26]([13CH3:7])[C:29]2=[C:30]1[CH:24]([13CH3:5])[CH:25]([13CH3:6])[C@H:31]1[C:32]([CH3:9])([CH3:10])[C@@H:28]([OH:35])[CH2:19][CH2:20][C@:33]21[CH3:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73157
chebi:73157
thaliandiol
(13R,14R,17E)-podioda-8,17,21-trien-3beta,?-diol
(3S,13S,14R)-malabarica-8,17,21-trien-3,?-diol
thalian-diol

seed.compound:cpd28252
seedM:cpd28252
Thalian-diols

seedM:M_cpd28252
secondary/obsolete/fantasy identifier