| Properties | Image |
|---|
| MNX_ID | MNXM167289 |
 |
| reference | metacycM:CPD-19691 |
| formula | C30H50O10 |
| global charge | 0 |
| mol weight | 570.72 |
| InChIKey | ACXJWSBMVQOROW-TVJXPAMASA-N |
| InChI | InChI=1S/C30H50O10/c1-14(4-7-23(35)40-28-27(38)26(37)25(36)21(13-31)39-28)17-5-6-18-24-19(12-22(34)30(17,18)3)29(2)9-8-16(32)10-15(29)11-20(24)33/h14-22,24-28,31-34,36-38H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21-,22+,24+,25+,26+,27-,28+,29+,30-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O10/c1-14(4-7-23(35)40-28-27(38)26(37)25(36)21(13-31)39-28)17-5-6-18-24-19(12-22(34)30(17,18)3)29(2)9-8-16(32)10-15(29)11-20(24)33/h14-22,24-28,31-34,36-38H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21-,22+,24+,25+,26+,27-,28+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([CH2:4][CH2:7][C:23](=[O:35])[O:40][C@H:28]1[C@H:27]([OH:38])[C@@H:26]([OH:37])[C@@H:25]([OH:36])[C@@H:21]([CH2:13][OH:31])[O:39]1)[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@H:24]3[C@H:19]([CH2:12][C@H:22]([OH:34])[C@:30]12[CH3:3])[C@@:29]1([CH3:2])[CH2:9][CH2:8][C@@H:16]([OH:32])[CH2:10][C@H:15]1[CH2:11][C@H:20]3[OH:33] |
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