neocarthamin

Properties Image MNX_ID MNXM45727 reference chebi:81267 formula C21H22O11 global charge 0 mol weight 450.396 InChIKey UBFTZAGDGOMJQE-SACPXRHSSA-N InChI InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1 SMILES O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(O)C(O)=C2 MNX internals InChI (mnx) InChI=1/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C@@H:12]1[CH2:5][C:10](=[O:24])[C:15]2=[C:20]([O:32][C@H:21]3[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:17]([OH:27])[C@@H:14]([CH2:7][OH:22])[O:31]3)[C:16]([OH:26])=[C:11]([OH:25])[CH:6]=[C:13]2[O:30]1

Parent-child relations graph

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