| Properties | Image |
|---|
| MNX_ID | MNXM108810 |
 |
| reference | chebi:69784 |
| formula | C36H42O10 |
| global charge | 0 |
| mol weight | 634.722 |
| InChIKey | FOGQAGLJUKZQEX-WLPCRHHKSA-N |
| InChI | InChI=1S/C36H42O10/c1-14(7-25(38)44-5)12-35(43)22-10-21(22)33(3)23(35)11-20-18(13-37)32(42)46-36(20)24(33)9-17-16-8-19(16)34(4)27(17)28(36)26(29(39)30(34)40)15(2)31(41)45-6/h7,16,19,21-24,28,30,37,40,43H,8-13H2,1-6H3/b14-7+,26-15-/t16-,19-,21-,22+,23+,24+,28+,30+,33+,34+,35-,36+/m1/s1 |
| SMILES | COC(=O)/C=C(\C)C[C@]1(O)[C@H]2CC3=C(CO)C(=O)O[C@@]34[C@@H]3C5=C(C[C@H]4[C@@]2(C)[C@@H]2C[C@@H]21)[C@H]1C[C@H]1[C@]5(C)[C@@H](O)C(=O)/C3=C(/C)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C36H42O10/c1-14(7-25(38)44-5)12-35(43)22-10-21(22)33(3)23(35)11-20-18(13-37)32(42)46-36(20)24(33)9-17-16-8-19(16)34(4)27(17)28(36)26(29(39)30(34)40)15(2)31(41)45-6/h7,16,19,21-24,28,30,37,40,43H,8-13H2,1-6H3/b14-7+,26-15-/t16-,19-,21-,22+,23+,24+,28+,30+,33+,34+,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:14](=[CH:7]\[C:25](=[O:38])[O:44][CH3:5])[CH2:12][C@@:35]1([OH:43])[C@H:22]2[CH2:10][C@H:21]2[C@@:33]2([CH3:3])[C@@H:23]1[CH2:11][C:20]1=[C:18]([CH2:13][OH:37])[C:32](=[O:42])[O:46][C@:36]13[C@H:24]2[CH2:9][C:17]1=[C:27]2[C@@H:28]3/[C:26](=[C:15](\[CH3:2])[C:31](=[O:41])[O:45][CH3:6])[C:29](=[O:39])[C@H:30]([OH:40])[C@@:34]2([CH3:4])[C@@H:19]2[CH2:8][C@H:16]12 |
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