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Chemistry, part 2

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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 > isoprenoid > terpenoid > sesquiterpenoid > acremeremophilane a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > acremeremophilane a

Preferred term

acremeremophilane a  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18O4

inchi

  • InChI=1S/C15H18O4/c1-8(14(18)19)11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)17/h4-6,9,11-12,16H,1,7H2,2-3H3,(H,18,19)/t9-,11-,12-,15+/m0/s1

inchikey

  • PSBUPTRMQGNIJB-AVNXNWIJSA-N

mass

  • 262.305

monoisotopicmass

  • 262.12051

smiles

  • O=C1C=C2C=C[C@H](O)[C@@H]([C@@]2(C)C[C@H]1C(C(=O)O)=C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(2S,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227462

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