| Properties | Image |
|---|
| MNX_ID | MNXM113659 |
 |
| reference | chebi:68365 |
| formula | C38H46O14 |
| global charge | 0 |
| mol weight | 726.772 |
| InChIKey | MXZGVAUMCVGBHE-RCBKJWTRSA-N |
| InChI | InChI=1S/C38H46O14/c1-10-18(2)31(44)50-33-35(7)17-37(51-20(4)40)36(8,24(35)15-25(42)46-9)23-11-13-34(6)27(28(43)32(45)49-29(34)22-12-14-47-16-22)26(23)30(48-19(3)39)38(33,37)52-21(5)41/h10,12,14,16,23-24,28-30,33,43H,11,13,15,17H2,1-9H3/b18-10+/t23-,24-,28+,29-,30-,33-,34+,35+,36+,37+,38+/m0/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@](C)([C@H]4CC[C@]5(C)C(=C4[C@H](OC(C)=O)[C@@]13OC(C)=O)[C@@H](O)C(=O)O[C@H]5C1=COC=C1)[C@H]2CC(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C38H46O14/c1-10-18(2)31(44)50-33-35(7)17-37(51-20(4)40)36(8,24(35)15-25(42)46-9)23-11-13-34(6)27(28(43)32(45)49-29(34)22-12-14-47-16-22)26(23)30(48-19(3)39)38(33,37)52-21(5)41/h10,12,14,16,23-24,28-30,33,43H,11,13,15,17H2,1-9H3/b18-10+/t23-,24-,28+,29-,30-,33-,34+,35+,36+,37+,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:10]=[C:18](\[CH3:2])[C:31](=[O:44])[O:50][C@H:33]1[C@:35]2([CH3:7])[CH2:17][C@@:37]3([O:51][C:20]([CH3:4])=[O:40])[C@:36]([CH3:8])([C@H:23]4[CH2:11][CH2:13][C@:34]5([CH3:6])[C:27](=[C:26]4[C@H:30]([O:48][C:19]([CH3:3])=[O:39])[C@@:38]13[O:52][C:21]([CH3:5])=[O:41])[C@@H:28]([OH:43])[C:32](=[O:45])[O:49][C@H:29]5[C:22]1=[CH:16][O:47][CH:14]=[CH:12]1)[C@H:24]2[CH2:15][C:25](=[O:42])[O:46][CH3:9] |
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