Summary

Molecular formula: C21H36O6
SMILES: OC[C@@H]1O[C@H](O[C@@](CCC=C(CCC=C(C)C)C)(C=C)C)[C@@H]([C@@H]([C@H]1O)O)O
InChI: InChI=1S/C21H36O6/c1-6-21(5,12-8-11-15(4)10-7-9-14(2)3)27-20-19(25)18(24)17(23)16(13-22)26-20/h6,9,11,16-20,22-25H,1,7-8,10,12-13H2,2-5H3/t16-,17-,18+,19+,20+,21+/m0/s1
InChIKey: RFJXXUYBKKEANF-FLNLFJTMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Fatty Acyls
Sub class: Fatty acyl glycosides

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Synonymous chemical names:
mannonerolidol

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External chemical identifiers:
CID_145720682; NPATLAS_NPA024892

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Chemical structure download