| Properties | Image |
|---|
| MNX_ID | MNXM167290 |
 |
| reference | metacycM:CPD-19689 |
| formula | C30H50O9 |
| global charge | 0 |
| mol weight | 554.721 |
| InChIKey | LPVGHTWOGSYJGC-AAEPZSDASA-N |
| InChI | InChI=1S/C30H50O9/c1-15(4-9-24(34)39-28-27(37)26(36)25(35)22(14-31)38-28)19-7-8-20-18-6-5-16-12-17(32)10-11-29(16,2)21(18)13-23(33)30(19,20)3/h15-23,25-28,31-33,35-37H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,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]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O9/c1-15(4-9-24(34)39-28-27(37)26(36)25(35)22(14-31)38-28)19-7-8-20-18-6-5-16-12-17(32)10-11-29(16,2)21(18)13-23(33)30(19,20)3/h15-23,25-28,31-33,35-37H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]([CH2:4][CH2:9][C:24](=[O:34])[O:39][C@H:28]1[C@H:27]([OH:37])[C@@H:26]([OH:36])[C@@H:25]([OH:35])[C@@H:22]([CH2:14][OH:31])[O:38]1)[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@@H:18]3[CH2:6][CH2:5][C@@H:16]4[CH2:12][C@H:17]([OH:32])[CH2:10][CH2:11][C@:29]4([CH3:2])[C@H:21]3[CH2:13][C@H:23]([OH:33])[C@:30]12[CH3:3] |
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