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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 > (-)-cochlearoid n
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > (-)-cochlearoid n

Preferred term

(-)-cochlearoid n  

Type

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

Broader concept

charge

  • 0

formula

  • C39H48O7

inchi

  • InChI=1S/C39H48O7/c1-7-44-37(43)38-19-18-31(25(4)5)39(23-38)35-33(45-38)17-16-32(42)34(35)30-21-29(41)20-28(36(30)46-39)15-14-27(22-40)13-9-12-26(6)11-8-10-24(2)3/h10,12,14,16-17,20-21,31,40-42H,4,7-9,11,13,15,18-19,22-23H2,1-3,5-6H3/b26-12+,27-14-/t31-,38-,39+/m1/s1

inchikey

  • BZZZJJOXKWAEPR-UPESYBHUSA-N

mass

  • 628.806

monoisotopicmass

  • 628.34000

smiles

  • O=C(OCC)[C@]12OC3=C4C(=C(O)C=C3)C=5C=C(O)C=C(C5O[C@@]4(C1)[C@@H](C(=C)C)CC2)C/C=C(/CO)/CC/C=C(/CCC=C(C)C)/C

subset

  • 2_STAR

synonym EXACT

  • ethyl (1S,2R,5R)-10,14-dihydroxy-16-[(2Z,6E)-3-(hydroxymethyl)-7,11-dimethyldodeca-2,6,10-trienyl]-2-prop-1-en-2-yl-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205746

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