| Properties | Image |
|---|
| MNX_ID | MNXM1191372 |
 |
| reference | envipathM:...c6f7a5fc31f1 |
| formula | C29H41O10 |
| global charge | -1 |
| mol weight | 549.637 |
| InChIKey | KHUGKXNHPGVZEN-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H42O10/c1-27-7-5-17(38-25-12-21(32)26(36)22(14-31)39-25)10-16(27)3-4-19-20(27)11-23(33)28(2)18(6-8-29(19,28)37)15(13-30)9-24(34)35/h9,14,16-22,25-26,30,32,36-37H,3-8,10-13H2,1-2H3,(H,34,35)/p-1 |
| SMILES | CC12CCC(OC3CC(O)C(O)C(C=O)O3)CC1CCC1C2CC(=O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O10/c1-27-7-5-17(38-25-12-21(32)26(36)22(14-31)39-25)10-16(27)3-4-19-20(27)11-23(33)28(2)18(6-8-29(19,28)37)15(13-30)9-24(34)35/h9,14,16-22,25-26,30,32,36-37H,3-8,10-13H2,1-2H3,(H,34,35)/b15-9?/t16?,17?,18?,19?,20?,21?,22?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:27]12[CH2:7][CH2:5][CH:17]([O:38][CH:25]3[CH2:12][CH:21]([OH:32])[CH:26]([OH:36])[CH:22]([CH:14]=[O:31])[O:39]3)[CH2:10][CH:16]1[CH2:3][CH2:4][CH:19]1[CH:20]2[CH2:11][C:23](=[O:33])[C:28]2([CH3:2])[CH:18]([C:15](=[CH:9][C:24](=[O:34])[OH:35])[CH2:13][OH:30])[CH2:6][CH2:8][C:29]12[OH:37] |
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