| Properties | Image |
|---|
| MNX_ID | MNXM108058 |
 |
| reference | chebi:68266 |
| formula | C25H31NO8 |
| global charge | 0 |
| mol weight | 473.522 |
| InChIKey | UQTMBBQISVQTGO-BXNMXXHVSA-N |
| InChI | InChI=1S/C25H31NO8/c1-23(8-7-19(30)26-20-16(28)4-3-15(21(20)31)22(32)34-2)17-11-14-5-9-24(17,10-6-18(23)29)12-25(14,33)13-27/h3-4,6,10,14,17,27-28,31,33H,5,7-9,11-13H2,1-2H3,(H,26,30)/t14-,17-,23-,24+,25-/m0/s1 |
| SMILES | COC(=O)C1=C(O)C(NC(=O)CC[C@]2(C)C(=O)C=C[C@@]34CC[C@@H](C[C@H]32)[C@@](O)(CO)C4)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H31NO8/c1-23(8-7-19(30)26-20-16(28)4-3-15(21(20)31)22(32)34-2)17-11-14-5-9-24(17,10-6-18(23)29)12-25(14,33)13-27/h3-4,6,10,14,17,27-28,31,33H,5,7-9,11-13H2,1-2H3,(H,26,30)/t14-,17-,23-,24+,25-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@:23]1([CH2:8][CH2:7][C:19](=[N:26][C:20]2=[C:16]([OH:28])[CH:4]=[CH:3][C:15]([C:22](=[O:32])[O:34][CH3:2])=[C:21]2[OH:31])[OH:30])[C@@H:17]2[CH2:11][C@@H:14]3[CH2:5][CH2:9][C@@:24]2([CH:10]=[CH:6][C:18]1=[O:29])[CH2:12][C@@:25]3([CH2:13][OH:27])[OH:33] |
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