| Properties | Image |
|---|
| MNX_ID | MNXM1180528 |
 |
| reference | envipathM:...ea740f9e171c |
| formula | C29H45O12 |
| global charge | -1 |
| mol weight | 585.667 |
| InChIKey | UFRZDINOXAHBCW-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H46O12/c1-26-15(8-16(9-21(26)33)40-24-10-18(32)25(37)19(13-31)41-24)3-4-20-28(38)6-5-17(14(12-30)7-23(35)36)27(28,2)22(34)11-29(20,26)39/h7,15-22,24-25,30-34,37-39H,3-6,8-13H2,1-2H3,(H,35,36)/p-1 |
| SMILES | CC12C(O)CC(OC3CC(O)C(O)C(CO)O3)CC1CCC1C2(O)CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O12/c1-26-15(8-16(9-21(26)33)40-24-10-18(32)25(37)19(13-31)41-24)3-4-20-28(38)6-5-17(14(12-30)7-23(35)36)27(28,2)22(34)11-29(20,26)39/h7,15-22,24-25,30-34,37-39H,3-6,8-13H2,1-2H3,(H,35,36)/b14-7?/t15?,16?,17?,18?,19?,20?,21?,22?,24?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:26]12[CH:15]([CH2:3][CH2:4][CH:20]3[C:28]4([OH:38])[CH2:6][CH2:5][CH:17]([C:14](=[CH:7][C:23](=[O:35])[OH:36])[CH2:12][OH:30])[C:27]4([CH3:2])[CH:22]([OH:34])[CH2:11][C:29]31[OH:39])[CH2:8][CH:16]([O:40][CH:24]1[CH2:10][CH:18]([OH:32])[CH:25]([OH:37])[CH:19]([CH2:13][OH:31])[O:41]1)[CH2:9][CH:21]2[OH:33] |
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