| Properties | Image |
|---|
| MNX_ID | MNXM119268 |
 |
| reference | hmdb:HMDB0032858 |
| formula | C43H49NO18 |
| global charge | 0 |
| mol weight | 867.854 |
| InChIKey | KEGLSEMSUHHFTM-UHFFFAOYSA-N |
| InChI | InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3 |
| SMILES | CC(=O)OCC12C(OC(C)=O)C(OC(=O)C3=CC=CC=C3)C3C(OC(C)=O)C14OC3(C)COC(=O)C1=C(N=CC=C1)C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O |
MNX internals
| InChI (mnx) | InChI=1/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29?,31?,32?,33?,34?,35?,36?,40?,41?,42?,43? |
 |
| SMILES (mnx) | [CH3:1][CH:20]1[CH:21]([CH3:2])[C:37](=[O:50])[O:61][CH:34]2[CH:32]([O:56][C:23]([CH3:4])=[O:46])[CH:36]([O:59][C:26]([CH3:7])=[O:49])[C:42]3([CH2:19][O:54][C:22]([CH3:3])=[O:45])[CH:35]([O:58][C:25]([CH3:6])=[O:48])[CH:31]([O:60][C:38]([C:27]4=[CH:14][CH:11]=[CH:10][CH:12]=[CH:15]4)=[O:51])[CH:29]4[CH:33]([O:57][C:24]([CH3:5])=[O:47])[C:43]3([C:41]2([CH3:9])[OH:53])[O:62][C:40]4([CH3:8])[CH2:18][O:55][C:39](=[O:52])[C:28]2=[C:30]1[N:44]=[CH:17][CH:13]=[CH:16]2 |
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