| Properties | Image |
|---|
| MNX_ID | MNXM1368539 |
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| reference | keggC:C05811 |
| formula | C46H70O2 |
| global charge | 0 |
| mol weight | 655.064 |
| InChIKey | YNPGYMZVNLIZLD-BQFKTQOQSA-N |
| InChI | InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+ |
| 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(O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+ |
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| SMILES (mnx) | [CH3:1][C:36]([CH3:2])=[CH:18][CH2:10][CH2:19]/[C:37]([CH3:3])=[CH:20]/[CH2:11][CH2:21]/[C:38]([CH3:4])=[CH:22]/[CH2:12][CH2:23]/[C:39]([CH3:5])=[CH:24]/[CH2:13][CH2:25]/[C:40]([CH3:6])=[CH:26]/[CH2:14][CH2:27]/[C:41]([CH3:7])=[CH:28]/[CH2:15][CH2:29]/[C:42]([CH3:8])=[CH:30]/[CH2:16][CH2:31]/[C:43]([CH3:9])=[CH:34]/[CH2:35][C:44]1=[C:46]([OH:48])[C:45]([OH:47])=[CH:33][CH:17]=[CH:32]1 |
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