| Properties | Image |
|---|
| MNX_ID | MNXM160798 |
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| reference | chebi:84037 |
| formula | C31H33NO9 |
| global charge | 0 |
| mol weight | 563.603 |
| InChIKey | GHLIFBNIGXVDHM-VQXSZRIGSA-N |
| InChI | InChI=1S/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1 |
| SMILES | C=CC1=CC2=C(C(OC)=C1)C1=C(OC2=O)C2=C(C(O)=CC=C2C2O[C@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]2O)C(OC)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:8][C:16]1=[CH:11][C:19]2=[C:23]([C:18]3=[C:29]([C:24]4=[C:17]([CH:30]5[C@H:27]([OH:35])[C@@H:26]([N:32]([CH3:4])[CH3:5])[C@@H:28]([O:40][C:15]([CH3:3])=[O:33])[C@@H:14]([CH3:2])[O:39]5)[CH:9]=[CH:10][C:20]([OH:34])=[C:25]4[C:22]([O:38][CH3:7])=[CH:13]3)[O:41][C:31]2=[O:36])[C:21]([O:37][CH3:6])=[CH:12]1 |
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