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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > 3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > 3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one

Preferred term

3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C14H22O4

inchi

  • InChI=1S/C14H22O4/c1-12(6-15)3-8-9(4-12)13(2)5-14(13,7-16)11(18)10(8)17/h8-10,15-17H,3-7H2,1-2H3

inchikey

  • CUAPOUHDJKWLOB-UHFFFAOYSA-N

mass

  • 254.326

monoisotopicmass

  • 254.15181

smiles

  • OC1C2C(C3(C(C3)(C1=O)CO)C)CC(C2)(CO)C

subset

  • 2_STAR

synonym EXACT

  • 3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181663

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