resiniferatoxin

Properties Image MNX_ID MNXM1112406 reference chebi:8809 formula C37H40O9 global charge 0 mol weight 628.718 InChIKey DSDNAKHZNJAGHN-IHCAYWNCSA-N InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1 SMILES C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](CC5=CC=CC=C5)(O[C@@H]1[C@@H]3C=C(COC(=O)CC1=CC(OC)=C(O)C=C1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2 MNX internals InChI (mnx) InChI=1/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1 SMILES (mnx) [CH2:1]=[C:21]([CH3:2])[C@:35]12[CH2:17][C@@H:23]([CH3:4])[C@@:37]34[C@@H:27]([CH:14]=[C:26]([CH2:20][O:43][C:31]([CH2:16][C:25]5=[CH:15][C:29]([O:42][CH3:5])=[C:28]([OH:38])[CH:12]=[CH:11]5)=[O:39])[CH2:18][C@@:34]5([OH:41])[C@H:30]3[CH:13]=[C:22]([CH3:3])[C:32]5=[O:40])[C@H:33]1[O:44][C:36]([CH2:19][C:24]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)([O:45]2)[O:46]4

Parent-child relations graph

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