| Properties | Image |
|---|
| MNX_ID | MNXM163000 |
 |
| reference | biggM:HC02220 |
| formula | C24H40O7S |
| global charge | 0 |
| mol weight | 472.644 |
| InChIKey | WHMOBEGYTDWMIG-HEGLNSLBSA-N |
| InChI | InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([CH2:4][CH2:7][C:21](=[O:26])[OH:27])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@H:22]3[C@H:19]([CH2:9][CH2:11][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:10][CH2:8][C@@H:16]([O:31][S:32]([OH:28])(=[O:29])=[O:30])[CH2:12][C@H:15]1[CH2:13][CH:20]3[OH:25] |
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