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Chemistry, part 2

Content language

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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 > xylaric acid c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > xylaric acid c

Preferred term

xylaric acid c  

Type

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

Broader concept

charge

  • 0

formula

  • C17H28O7

inchi

  • InChI=1S/C17H28O7/c1-10(2)12-5-6-17(22,9-23-3)14(16(21)24-4)13(12)7-11(8-18)15(19)20/h7,10,12-14,18,22H,5-6,8-9H2,1-4H3,(H,19,20)/b11-7+/t12-,13-,14-,17-/m1/s1

inchikey

  • CTXQYGFBTHMPMF-QIFAGBGNSA-N

mass

  • 344.404

monoisotopicmass

  • 344.18350

smiles

  • O=C(O)/C(=C/[C@H]1[C@H](C(=O)OC)[C@@](O)(CC[C@@H]1C(C)C)COC)/CO

subset

  • 2_STAR

synonym EXACT

  • (E)-3-[(1S,2S,3S,6R)-3-hydroxy-2-methoxycarbonyl-3-(methoxymethyl)-6-propan-2-ylcyclohexyl]-2-(hydroxymethyl)prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218106

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