| Properties | Image |
|---|
| MNX_ID | MNXM106281 |
 |
| reference | chebi:66591 |
| formula | C31H32O8 |
| global charge | 0 |
| mol weight | 532.589 |
| InChIKey | MWCNCFCBBXKOCI-CMTGZUNTSA-N |
| InChI | InChI=1S/C31H32O8/c1-17-13-20-14-22(34-3)29(35-4)27(33)25(20)26-21(15-23-30(31(26)36-5)38-16-37-23)28(18(17)2)39-24(32)12-11-19-9-7-6-8-10-19/h6-12,14-15,17-18,28,33H,13,16H2,1-5H3/b12-11+/t17-,18-,28-/m1/s1 |
| SMILES | COC1=CC2=C(C(O)=C1OC)C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)/C=C/C1=CC=CC=C1)[C@H](C)[C@H](C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C31H32O8/c1-17-13-20-14-22(34-3)29(35-4)27(33)25(20)26-21(15-23-30(31(26)36-5)38-16-37-23)28(18(17)2)39-24(32)12-11-19-9-7-6-8-10-19/h6-12,14-15,17-18,28,33H,13,16H2,1-5H3/b12-11+/t17-,18-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:13][C:20]2=[CH:14][C:22]([O:34][CH3:3])=[C:29]([O:35][CH3:4])[C:27]([OH:33])=[C:25]2[C:26]2=[C:21]([CH:15]=[C:23]3[C:30](=[C:31]2[O:36][CH3:5])[O:38][CH2:16][O:37]3)[C@H:28]([O:39][C:24](/[CH:12]=[CH:11]/[C:19]2=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]2)=[O:32])[C@@H:18]1[CH3:2] |
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