Summary

Molecular formula: C28H40O4
SMILES: O=C(OC1(C)CCC=CC1=O)/C=C/1C(=O)CC[C@]2(C1CCC2[C@H](/C=C/C(C(C)C)C)C)C
InChI: InChI=1S/C28H40O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9-11,17-20,22-23H,8,12-16H2,1-6H3/b11-10+,21-17-/t19?,20-,22?,23?,27+,28?/m0/s1
InChIKey: HHOHGMGBNVADCJ-MFJAYZNKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=C1C(=O)CCC2CCCC12)OC1CCC=CC1=O

Scaffold Graph/Node level:
OC(CC1C(O)CCC2CCCC21)OC1CCCCC1O

Scaffold Graph level:
CC(CC1CCCCC1C)CC1C(C)CCC2CCCC21

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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:
jiangxienone

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External chemical identifiers:
CID_71472154; NPATLAS_NPA017532; CHEMSPIDER_78445616

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Chemical structure download