| Properties | Image |
|---|
| MNX_ID | MNXM1560598 |
 |
| reference | vmhM:dnpz_m12
vmhM:dnpz_m12 |
| formula | C29H35NO9 |
| global charge | 0 |
| mol weight | 541.597 |
| InChIKey | UBLKQFQMHFDJGO-OWECDQGASA-N |
| InChI | InChI=1S/C29H35NO9/c1-37-21-14-20-18(13-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36)12-19(23(20)31)11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29?/m0/s1 |
| SMILES | COc1cc2c(cc1OC1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC(CC1CC[NH+](Cc3ccccc3)CC1)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C29H35NO9/c1-37-21-14-20-18(13-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36)12-19(23(20)31)11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][c:21]1[cH:14][c:20]2[c:18]([cH:13][c:22]1[O:38][CH:29]1[C@H:26]([OH:34])[C@@H:24]([OH:32])[C@H:25]([OH:33])[C@@H:27]([C:28]([OH:35])=[O:36])[O:39]1)[CH2:12][CH:19]([CH2:11][CH:16]1[CH2:7][CH2:9][N:30]([CH2:15][c:17]3[cH:5][cH:3][cH:2][cH:4][cH:6]3)[CH2:10][CH2:8]1)[C:23]2=[O:31] |
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