| Properties | Image |
|---|
| MNX_ID | MNXM1368758 |
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| reference | keggC:C05809 |
| formula | C47H70O3 |
| global charge | 0 |
| mol weight | 683.074 |
| InChIKey | UTIBHEBNILDQKX-LQOKPSQISA-N |
| InChI | InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=CC(C(=O)O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ |
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| SMILES (mnx) | [CH3:1][C:36]([CH3:2])=[CH:17][CH2:10][CH2:18]/[C:37]([CH3:3])=[CH:19]/[CH2:11][CH2:20]/[C:38]([CH3:4])=[CH:21]/[CH2:12][CH2:22]/[C:39]([CH3:5])=[CH:23]/[CH2:13][CH2:24]/[C:40]([CH3:6])=[CH:25]/[CH2:14][CH2:26]/[C:41]([CH3:7])=[CH:27]/[CH2:15][CH2:28]/[C:42]([CH3:8])=[CH:29]/[CH2:16][CH2:30]/[C:43]([CH3:9])=[CH:31]/[CH2:32][C:44]1=[C:46]([OH:48])[CH:34]=[CH:33][C:45]([C:47]([OH:49])=[O:50])=[CH:35]1 |
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