| Properties | Image |
|---|
| MNX_ID | MNXM105237 |
 |
| reference | chebi:67587 |
| formula | C37H58O9 |
| global charge | 0 |
| mol weight | 646.862 |
| InChIKey | LOHRCIAMXCCSQS-HAXSJUCQSA-N |
| InChI | InChI=1S/C37H58O9/c1-18(2)19(3)9-10-24(34(42)43)27-14-13-26-23-11-12-25-20(4)33(46-35-32(41)31(40)30(39)21(5)44-35)29(45-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,43)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C37H58O9/c1-18(2)19(3)9-10-24(34(42)43)27-14-13-26-23-11-12-25-20(4)33(46-35-32(41)31(40)30(39)21(5)44-35)29(45-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,43)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:9][CH2:10][C@H:24]([C@H:27]1[CH2:14][CH2:13][C@H:26]2[C:23]3=[CH:11][CH2:12][C@H:25]4[C@H:20]([CH3:4])[C@@H:33]([O:46][C@H:35]5[C@@H:32]([OH:41])[C@H:31]([OH:40])[C@@H:30]([OH:39])[C@H:21]([CH3:5])[O:44]5)[C@H:29]([O:45][C:22]([CH3:6])=[O:38])[CH2:17][C@:37]4([CH3:8])[C@H:28]3[CH2:15][CH2:16][C@@:36]21[CH3:7])[C:34](=[O:42])[OH:43] |
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