| Properties | Image |
|---|
| MNX_ID | MNXM13276 |
 |
| reference | metacycM:CPD-11470 |
| formula | C46H66O7 |
| global charge | 0 |
| mol weight | 731.027 |
| InChIKey | BSWLTLQDCPLUPH-WSSMBQJOSA-N |
| InChI | InChI=1S/C46H66O7/c1-30(17-13-19-32(3)21-23-38-34(5)25-36(48)27-45(38,7)8)15-11-12-16-31(2)18-14-20-33(4)22-24-39-35(6)26-37(28-46(39,9)10)52-44-43(51)42(50)41(49)40(29-47)53-44/h11-24,36-37,40-44,47-51H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,37-,40-,41-,42+,43-,44-/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H66O7/c1-30(17-13-19-32(3)21-23-38-34(5)25-36(48)27-45(38,7)8)15-11-12-16-31(2)18-14-20-33(4)22-24-39-35(6)26-37(28-46(39,9)10)52-44-43(51)42(50)41(49)40(29-47)53-44/h11-24,36-37,40-44,47-51H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,37-,40-,41-,42+,43-,44-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:31]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:33]([CH3:4])\[CH:22]=[CH:24]\[C:39]1=[C:35]([CH3:6])[CH2:26][C@@H:37]([O:52][C@H:44]2[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:41]([OH:49])[C@@H:40]([CH2:29][OH:47])[O:53]2)[CH2:28][C:46]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:32]([CH3:3])/[CH:21]=[CH:23]/[C:38]1=[C:34]([CH3:5])[CH2:25][C@@H:36]([OH:48])[CH2:27][C:45]1([CH3:7])[CH3:8] |
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