| Properties | Image |
|---|
| MNX_ID | MNXM107320 |
 |
| reference | chebi:66638 |
| formula | C30H37NO11 |
| global charge | 0 |
| mol weight | 587.622 |
| InChIKey | XXHMZNPASHQZPM-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H37NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-28,32,34,36-38H,11H2,1-7H3 |
| SMILES | COC1=C2C(=O)C3=C(C(=O)C2=C(O)C=C1)C(O)=C1C(=C3)C(O)C(C)(O)C(OC)C1OC1CC(C)(N(C)C)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C30H37NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-28,32,34,36-38H,11H2,1-7H3/t12?,17?,25?,26?,27?,28?,29?,30? |
 |
| SMILES (mnx) | [CH3:1][CH:12]1[CH:26]([OH:36])[C:29]([CH3:2])([N:31]([CH3:4])[CH3:5])[CH2:11][CH:17]([O:42][CH:25]2[C:19]3=[C:23]([OH:34])[C:18]4=[C:13]([CH:10]=[C:14]3[CH:27]([OH:37])[C:30]([CH3:3])([OH:38])[CH:28]2[O:40][CH3:7])[C:22](=[O:33])[C:21]2=[C:16]([O:39][CH3:6])[CH:9]=[CH:8][C:15]([OH:32])=[C:20]2[C:24]4=[O:35])[O:41]1 |
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