| Properties | Image |
|---|
| MNX_ID | MNXM11498 |
 |
| reference | chebi:81877 |
| formula | C30H35NO11 |
| global charge | 0 |
| mol weight | 585.606 |
| InChIKey | CVACSAHKWDLUII-DTNVTZSYSA-N |
| InChI | InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16-,17-,23-,24+,30+/m0/s1 |
| SMILES | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16-,17-,23-,24+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@@:30]1([OH:39])[CH2:11][C@H:16]([O:42][C@H:17]2[CH2:10][C@H:14]([N:31]([CH3:3])[CH3:4])[C@H:24]([OH:33])[C@H:12]([CH3:2])[O:41]2)[C:19]2=[C:27]([OH:36])[C:22]3=[C:21]([C:25](=[O:34])[C:13]4=[C:18]([C:15]([OH:32])=[CH:9][CH:7]=[CH:8]4)[C:26]3=[O:35])[C:28]([OH:37])=[C:20]2[C@H:23]1[C:29](=[O:38])[O:40][CH3:5] |
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