globostellatate C(1-)

Properties Image MNX_ID MNXM126125 reference chebi:72306 formula C33H47O7 global charge -1 mol weight 555.732 InChIKey DIBFODPMNNITET-MYCFXNEXSA-M InChI InChI=1S/C33H48O7/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37)/p-1/b12-10+,14-13+,20-11+,28-21+/t24-,25+,26?,27-,31+,32+,33-/m1/s1 SMILES COC(/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)[C@](C)(C(=O)[O-])[C@@H]3CC[C@]12C)C(C)(C)O MNX internals InChI (mnx) InChI=1/C33H48O7/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37)/b12-10+,14-13+,20-11+,28-21+/t24-,25+,26?,27-,31+,32+,33-/m1/s1 SMILES (mnx) [CH3:1][C:20](=[CH:11]\[CH:10]=[CH:12]\[C:21]([CH3:2])=[C:28]1/[C:23](=[O:35])[CH2:19][C@H:25]2[C@@:31]3([CH3:6])[CH2:18][CH2:16][C@@H:27]([O:40][C:22]([CH3:3])=[O:34])[C@:33]([CH3:8])([C:29](=[O:36])[OH:37])[C@@H:24]3[CH2:15][CH2:17][C@@:32]21[CH3:7])/[CH:13]=[CH:14]/[CH:26]([C:30]([CH3:4])([CH3:5])[OH:38])[O:39][CH3:9]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0