Summary

Molecular formula: C24H30O8
SMILES: COc1cc(C)c(c(c1)O)C(=O)O[C@@H]1C[C@]2([C@]1(O)C(=C[C@]1([C@@H]2[C@@H](O)C(C1)(C)C)O)C=O)C
InChI: InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
InChIKey: PETDNGRBYPTDNI-QSNWBFGMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CC2C1C=CC1CCCC12)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CC2C3CCCC3CCC12)C1CCCCC1

Scaffold Graph level:
CC(CC1CC2C3CCCC3CCC12)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
5'-o-methylmelledonal

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External chemical identifiers:
CID_183472; CAS_112471-07-5; NPATLAS_NPA010277; CHEMSPIDER_159527; ZINC_ZINC000031501600

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Chemical structure download