| Properties | Image |
|---|
| MNX_ID | MNXM93353 |
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| reference | metacycM:CPD-11668 |
| formula | C38H45N3O12 |
| global charge | 0 |
| mol weight | 735.787 |
| InChIKey | FDECXSCMWXHRNU-FOXWYSRTSA-N |
| InChI | InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-33(44)39-14-5-6-16-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)17-7-15-40-34(45)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+ |
| SMILES | COC1=CC(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)C(=O)/C=C/C2=CC(O)=C(O)C(OC)=C2)=CC(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-33(44)39-14-5-6-16-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)17-7-15-40-34(45)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+ |
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| SMILES (mnx) | [CH3:1][O:50][C:29]1=[CH:20][C:24](/[CH:8]=[CH:11]/[C:33](=[N:39]/[CH2:14][CH2:5][CH2:6][CH2:16][N:41]([CH2:17][CH2:7][CH2:15]/[N:40]=[C:34](/[CH:12]=[CH:9]/[C:26]2=[CH:22][C:31]([O:52][CH3:3])=[C:38]([OH:49])[C:32]([O:53][CH3:4])=[CH:23]2)[OH:45])[C:35](/[CH:13]=[CH:10]/[C:25]2=[CH:19][C:28]([OH:43])=[C:37]([OH:48])[C:30]([O:51][CH3:2])=[CH:21]2)=[O:46])[OH:44])=[CH:18][C:27]([OH:42])=[C:36]1[OH:47] |
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