| Properties | Image |
|---|
| MNX_ID | MNXM105750 |
 |
| reference | chebi:66082 |
| formula | C29H28O8 |
| global charge | 0 |
| mol weight | 504.535 |
| InChIKey | MBGKPRSARHEFAG-CCHLGUQTSA-N |
| InChI | InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1 |
| SMILES | COC1=C2OCOC2=CC2=C1C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)C1=CC=CC=C1)[C@@H](C)[C@@H](C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[CH2:10][C:18]2=[CH:11][C:20]3=[C:25]([C:27]([O:31][CH3:3])=[C:22]2[C:23]2=[C:19]([CH:12]=[C:21]4[C:26](=[C:28]2[O:32][CH3:4])[O:36][CH2:14][O:34]4)[C@H:24]([O:37][C:29]([C:17]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)=[O:30])[C@H:16]1[CH3:2])[O:35][CH2:13][O:33]3 |
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