| Properties | Image |
|---|
| MNX_ID | MNXM108446 |
 |
| reference | chebi:68067 |
| formula | C40H40O10 |
| global charge | 0 |
| mol weight | 680.75 |
| InChIKey | GVLSMMAPMUCRRO-POAYWABDSA-N |
| InChI | InChI=1S/C40H40O10/c1-21-36(22-6-10-28(41)32(16-22)45-2)50-39(25-9-13-31(44)35(19-25)48-5)40(21)15-14-26-27(20-40)38(24-8-12-30(43)34(18-24)47-4)49-37(26)23-7-11-29(42)33(17-23)46-3/h6-13,16-19,36-39,41-44H,1,14-15,20H2,2-5H3/t36-,37+,38-,39-,40+/m0/s1 |
| SMILES | C=C1[C@@H](C2=CC(OC)=C(O)C=C2)O[C@@H](C2=CC(OC)=C(O)C=C2)[C@@]12CCC1=C(C2)[C@H](C2=CC(OC)=C(O)C=C2)O[C@@H]1C1=CC(OC)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H40O10/c1-21-36(22-6-10-28(41)32(16-22)45-2)50-39(25-9-13-31(44)35(19-25)48-5)40(21)15-14-26-27(20-40)38(24-8-12-30(43)34(18-24)47-4)49-37(26)23-7-11-29(42)33(17-23)46-3/h6-13,16-19,36-39,41-44H,1,14-15,20H2,2-5H3/t36-,37+,38-,39-,40+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:21]1[C@@H:36]([C:22]2=[CH:16][C:32]([O:45][CH3:2])=[C:28]([OH:41])[CH:10]=[CH:6]2)[O:50][C@@H:39]([C:25]2=[CH:19][C:35]([O:48][CH3:5])=[C:31]([OH:44])[CH:13]=[CH:9]2)[C@@:40]12[CH2:15][CH2:14][C:26]1=[C:27]([CH2:20]2)[C@H:38]([C:24]2=[CH:18][C:34]([O:47][CH3:4])=[C:30]([OH:43])[CH:12]=[CH:8]2)[O:49][C@@H:37]1[C:23]1=[CH:17][C:33]([O:46][CH3:3])=[C:29]([OH:42])[CH:11]=[CH:7]1 |
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