| Properties | Image |
|---|
| MNX_ID | MNXM1413127 |
 |
| reference | chebi:233990 |
| formula | C32H29O10 |
| global charge | -1 |
| mol weight | 573.574 |
| InChIKey | KHKKXNJCLMGHNY-ROJLCIKYSA-M |
| InChI | InChI=1S/C32H30O10/c1-31(39)9-14-5-13-6-21(42-4)27(29(37)23(13)28(36)22(14)19(34)11-31)24-16-7-15(41-3)8-18(33)25(16)30(38)26-17(24)10-32(2,40)12-20(26)35/h5-8,33,36-40H,9-12H2,1-4H3/p-1/t31-,32-/m1/s1 |
| SMILES | COc1cc(O)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4[O-])C(=O)C[C@](C)(O)C6)c2c1)C[C@@](C)(O)CC3=O |
MNX internals
| InChI (mnx) | InChI=1/C32H30O10/c1-31(39)9-14-5-13-6-21(42-4)27(29(37)23(13)28(36)22(14)19(34)11-31)24-16-7-15(41-3)8-18(33)25(16)30(38)26-17(24)10-32(2,40)12-20(26)35/h5-8,33,36-40H,9-12H2,1-4H3/t31-,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:31]1([OH:39])[CH2:9][c:14]2[cH:5][c:13]3[cH:6][c:21]([O:42][CH3:4])[c:27](-[c:24]4[c:16]5[cH:7][c:15]([O:41][CH3:3])[cH:8][c:18]([OH:33])[c:25]5[c:30]([OH:38])[c:26]5[c:17]4[CH2:10][C@@:32]([CH3:2])([OH:40])[CH2:12][C:20]5=[O:35])[c:29]([OH:37])[c:23]3[c:28]([OH:36])[c:22]2[C:19](=[O:34])[CH2:11]1 |
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