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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 > diterpenoid > secalonic acid i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > secalonic acid i

Preferred term

secalonic acid i  

Type

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

Broader concept

charge

  • 0

formula

  • C32H28O14

inchi

  • InChI=1S/C32H28O14/c1-11-7-16(34)21(23(25(11)37)30(42)44-3)27(39)22-15(33)6-5-14(26(22)38)13-9-17(35)20-19(10-13)46-32(31(43)45-4)24(28(20)40)18(36)8-12(2)29(32)41/h5-7,9-10,12,29,33-35,37-38,40-41H,8H2,1-4H3/t12-,29+,32+/m0/s1

inchikey

  • KCGPZWUHZDROQN-NRRMYFFQSA-N

mass

  • 636.562

monoisotopicmass

  • 636.14791

smiles

  • O=C1C2=C(O)C3=C(C=C(C4=C(O)C(=C(O)C=C4)C(=O)C5=C(C(O)=C(C)C=C5O)C(=O)OC)C=C3O)O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3S,4R,4aR)-6-[3-(3,6-dihydroxy-2-methoxycarbonyl-4-methylbenzoyl)-2,4-dihydroxyphenyl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207688

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