| Properties | Image |
|---|
| MNX_ID | MNXM91407 |
 |
| reference | chebi:84423 |
| formula | C53H82O4 |
| global charge | 0 |
| mol weight | 783.235 |
| InChIKey | ALAJATOGWWBPQT-NSCWJZNLSA-N |
| InChI | InChI=1S/C53H82O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,54-56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+ |
| SMILES | COC1=C(O)C(C/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)CC/C=C(\C)CCC=C(C)C)=C(C)C(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C53H82O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,54-56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+ |
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| SMILES (mnx) | [CH3:1][C:39]([CH3:2])=[CH:21][CH2:13][CH2:22]/[C:40]([CH3:3])=[CH:23]/[CH2:14][CH2:24]/[C:41]([CH3:4])=[CH:25]/[CH2:15][CH2:26]/[C:42]([CH3:5])=[CH:27]/[CH2:16][CH2:28]/[C:43]([CH3:6])=[CH:29]/[CH2:17][CH2:30]/[C:44]([CH3:7])=[CH:31]/[CH2:18][CH2:32]/[C:45]([CH3:8])=[CH:33]/[CH2:19][CH2:34]/[C:46]([CH3:9])=[CH:35]/[CH2:20][CH2:36]/[C:47]([CH3:10])=[CH:37]/[CH2:38][C:49]1=[C:48]([CH3:11])[C:50]([OH:54])=[C:52]([OH:56])[C:53]([O:57][CH3:12])=[C:51]1[OH:55] |
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