| Properties | Image |
MNX_ID | MNXM104133 |
 |
reference | chebi:65697 |
formula | C33H28O10 |
global charge | 0 |
mol weight | 584.577 |
InChIKey | FVIXJWLGXKDNER-UHFFFAOYSA-N |
InChI | InChI=1S/C33H28O10/c1-19(34)40-30-28(23-10-14-25(37)15-11-23)32(42-21(3)36)33(43-27(39)18-9-22-7-5-4-6-8-22)29(31(30)41-20(2)35)24-12-16-26(38)17-13-24/h4-8,10-17,37-38H,9,18H2,1-3H3 |
SMILES | CC(=O)OC1=C(OC(=O)CCC2=CC=CC=C2)C(C2=CC=C(O)C=C2)=C(OC(C)=O)C(OC(C)=O)=C1C1=CC=C(O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C33H28O10/c1-19(34)40-30-28(23-10-14-25(37)15-11-23)32(42-21(3)36)33(43-27(39)18-9-22-7-5-4-6-8-22)29(31(30)41-20(2)35)24-12-16-26(38)17-13-24/h4-8,10-17,37-38H,9,18H2,1-3H3 |
 |
SMILES (mnx) | [CH3:1][C:19](=[O:34])[O:40][C:30]1=[C:28]([C:23]2=[CH:11][CH:15]=[C:25]([OH:37])[CH:14]=[CH:10]2)[C:32]([O:42][C:21]([CH3:3])=[O:36])=[C:33]([O:43][C:27]([CH2:18][CH2:9][C:22]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[O:39])[C:29]([C:24]2=[CH:13][CH:17]=[C:26]([OH:38])[CH:16]=[CH:12]2)=[C:31]1[O:41][C:20]([CH3:2])=[O:35] |
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