| Properties | Image |
|---|
| MNX_ID | MNXM727863 |
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| reference | chebi:34948 |
| formula | C37H45NO12 |
| global charge | 0 |
| mol weight | 695.762 |
| InChIKey | BTVYFIMKUHNOBZ-ODRIEIDWSA-N |
| InChI | InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 |
| SMILES | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C(=O)C(=CC2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C3C |
MNX internals
| InChI (mnx) | InChI=1/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:16]1/[CH:11]=[CH:10]/[CH:12]=[C:17]([CH3:2])\[C:36]([OH:46])=[N:38]/[C:23]2=[CH:15][C:24](=[O:40])[C:26]3=[C:28]4[C:34](=[C:21]([CH3:6])[C:31]([OH:43])=[C:27]3[C:32]2=[O:44])[O:50][C@@:37]([CH3:8])([C:35]4=[O:45])[O:48]/[CH:14]=[CH:13]/[C@H:25]([O:47][CH3:9])[C@@H:18]([CH3:3])[C@@H:33]([O:49][C:22]([CH3:7])=[O:39])[C@H:20]([CH3:5])[C@H:30]([OH:42])[C@H:19]([CH3:4])[C@H:29]1[OH:41] |
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