Summary

Molecular formula: C23H29ClO6
SMILES: O[C@@H]1C[C@]2([C@]1(O)C(=C[C@H]1[C@@H]2CC(C1)(C)C)COC(=O)c1c(O)cc(c(c1C)Cl)O)C
InChI: InChI=1S/C23H29ClO6/c1-11-18(15(25)6-16(26)19(11)24)20(28)30-10-13-5-12-7-21(2,3)8-14(12)22(4)9-17(27)23(13,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1
InChIKey: LRJNLSGTPANDCI-PPUVGZBRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC1=CC2CCCC2C2CCC12)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CC2CCCC2C2CCC12)C1CCCCC1

Scaffold Graph level:
CC(CCC1CC2CCCC2C2CCC12)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:
melleolide n

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External chemical identifiers:
CID_53493216; NPATLAS_NPA009603; CHEMSPIDER_78441089

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Chemical structure download