Physagulin D

Properties Image MNX_ID MNXM129641 reference chebi:176250 formula C34H52O10 global charge 0 mol weight 620.78 InChIKey KRHHFPJGGBLAAH-MYBCZMNMSA-N InChI InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1 SMILES CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1 MNX internals InChI (mnx) InChI=1/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1 SMILES (mnx) [CH3:1][C:16]1=[C:21]([CH2:14][OH:35])[C:31](=[O:41])[O:43][C@@H:25]([C@@H:17]([CH3:2])[C@H:22]2[CH2:7][CH2:8][C@H:23]3[C@@H:20]4[CH2:6][CH:5]=[C:18]5[CH2:12][C@@H:19]([O:42][C@H:32]6[C@H:30]([OH:40])[C@@H:29]([OH:39])[C@H:28]([OH:38])[C@@H:26]([CH2:15][OH:36])[O:44]6)[CH2:13][C@H:27]([OH:37])[C@:34]5([CH3:4])[C@H:24]4[CH2:9][CH2:10][C@:33]23[CH3:3])[CH2:11]1

Parent-child relations graph

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