Search MNXref
 Feedback

henryin

PropertiesImage
MNX_IDMNXM105524 Image of MNXM105524
referencechebi:70376
formulaC22H32O6
global charge0
mol weight392.492
InChIKeyFWBSIMCZPHJUNZ-SPYHJPNNSA-N
InChIInChI=1S/C22H32O6/c1-11-13-5-6-14-21(10-28-12(2)23)15(20(3,4)8-7-16(21)24)9-17(25)22(14,18(11)26)19(13)27/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17-,19-,21+,22+/m1/s1
SMILESC=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@H](O)[C@@]4(COC(C)=O)[C@@H]2CC[C@H]1[C@H]3O
MNX internals
InChI (mnx)InChI=1/C22H32O6/c1-11-13-5-6-14-21(10-28-12(2)23)15(20(3,4)8-7-16(21)24)9-17(25)22(14,18(11)26)19(13)27/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17-,19-,21+,22+/m1/s1 Image of MNXM105524
SMILES (mnx)[CH2:1]=[C:11]1[C@H:13]2[CH2:5][CH2:6][C@H:14]3[C@@:21]4([CH2:10][O:28][C:12]([CH3:2])=[O:23])[C@H:15]([CH2:9][C@@H:17]([OH:25])[C@@:22]3([C:18]1=[O:26])[C@@H:19]2[OH:27])[C:20]([CH3:3])([CH3:4])[CH2:8][CH2:7][C@@H:16]4[OH:24]
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:70376
chebi:70376
FWBSIMCZPHJUNZ-SPYHJPNNSA-N 		henryin