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ES-242-1

PropertiesImage
MNX_IDMNXM104933 Image of MNXM104933
referencechebi:67969
formulaC34H36O10
global charge0
mol weight604.652
InChIKeyITZYZLTWHDMFBJ-GLVLYPABSA-N
InChIInChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1
SMILESCOC1=CC2=C(C(OC)=C1)C(O)=C1CO[C@@H](C)CC1=C2C1=C2C=C(OC)C=C(OC)C2=C(O)C2=C1[C@H](OC(C)=O)[C@H](C)OC2
MNX internals
InChI (mnx)InChI=1/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1 Image of MNXM104933
SMILES (mnx)[CH3:1][C@H:15]1[CH2:8][C:20]2=[C:23]([CH2:13][O:42]1)[C:32]([OH:36])=[C:28]1[C:21](=[C:27]2[C:30]2=[C:31]3[C:24](=[C:33]([OH:37])[C:29]4=[C:22]2[CH:10]=[C:19]([O:39][CH3:5])[CH:12]=[C:26]4[O:41][CH3:7])[CH2:14][O:43][C@@H:16]([CH3:2])[C@H:34]3[O:44][C:17]([CH3:3])=[O:35])[CH:9]=[C:18]([O:38][CH3:4])[CH:11]=[C:25]1[O:40][CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67969
chebi:67969
ITZYZLTWHDMFBJ-GLVLYPABSA-N 		ES-242-1

CHEBI:204912
chebi:204912
ITZYZLTWHDMFBJ-UHFFFAOYSA-N 		ES 242-1
[10-hydroxy-5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate