| Properties | Image |
|---|
| MNX_ID | MNXM108078 |
 |
| reference | chebi:68239 |
| formula | C30H37NO12 |
| global charge | 0 |
| mol weight | 603.621 |
| InChIKey | IHNOHYIMWXMKQI-KGDOMDPMSA-N |
| InChI | InChI=1S/C30H37NO12/c1-28(18(33)5-8-30-10-13-9-16(25(28)30)43-29(13,2)12-30)7-6-19(34)31-20-15(4-3-14(21(20)35)26(39)40)41-27-24(38)23(37)22(36)17(11-32)42-27/h3-5,8,13,16-17,22-25,27,32,35-38H,6-7,9-12H2,1-2H3,(H,31,34)(H,39,40)/t13-,16+,17+,22+,23-,24+,25+,27+,28-,29+,30+/m1/s1 |
| SMILES | C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)NC5=C(O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C=CC(C(=O)O)=C5O)[C@@H]3[C@H](C[C@@H]1C4)O2 |
MNX internals
| InChI (mnx) | InChI=1/C30H37NO12/c1-28(18(33)5-8-30-10-13-9-16(25(28)30)43-29(13,2)12-30)7-6-19(34)31-20-15(4-3-14(21(20)35)26(39)40)41-27-24(38)23(37)22(36)17(11-32)42-27/h3-5,8,13,16-17,22-25,27,32,35-38H,6-7,9-12H2,1-2H3,(H,31,34)(H,39,40)/t13-,16+,17+,22+,23-,24+,25+,27+,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:28]1([CH2:7][CH2:6][C:19](=[N:31][C:20]2=[C:15]([O:41][C@@H:27]3[C@@H:24]([OH:38])[C@H:23]([OH:37])[C@@H:22]([OH:36])[C@H:17]([CH2:11][OH:32])[O:42]3)[CH:4]=[CH:3][C:14]([C:26](=[O:39])[OH:40])=[C:21]2[OH:35])[OH:34])[C:18](=[O:33])[CH:5]=[CH:8][C@@:30]23[CH2:10][C@H:13]4[CH2:9][C@@H:16]([C@@H:25]12)[O:43][C@@:29]4([CH3:2])[CH2:12]3 |
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