**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

NCGC00347826-02

Properties Image MNX_ID MNXM1373261 reference chebi:181161 formula C22H34O6 global charge 0 mol weight 394.508 InChIKey MQGBHJVUCRXIRM-UHFFFAOYSA-N InChI InChI=1S/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3 SMILES CC(=O)OC1CC(C)C2(CCC3(CC(=O)OC3O)O2)C2(C)CCCC(C)(C)C12 MNX internals InChI (mnx) InChI=1/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3/t13?,15?,17?,18?,20?,21?,22? SMILES (mnx) [CH2:1]1[C:8]2([C:7]3([CH3:20])[CH:9]([C:11]([CH3:22])([OH:23])[CH2:17][CH2:19][CH2:13]3)[CH:12]([CH2:2][O:27](=[CH2:6])[OH:28])[CH2:15][CH:10]2[CH3:21])[CH2:14][CH2:18][C:16]12[O:24][O:26](=[CH2:5])[CH2:3][O:25]2[CH3:4]

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

Identifier	Description
CHEBI:181161 chebi:181161 MQGBHJVUCRXIRM-UHFFFAOYSA-N	NCGC00347826-02