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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > (-)-(7's,8's)-threo-carolignan y
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > (-)-(7's,8's)-threo-carolignan y
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > (-)-(7's,8's)-threo-carolignan y

Preferred term

(-)-(7's,8's)-threo-carolignan y  

Type

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

Broader concept

charge

  • 0

formula

  • C40H42O12

has_role

inchi

  • InChI=1S/C40H42O12/c1-46-34-22-28(9-16-31(34)42)12-20-38(44)50-21-5-6-27-10-18-33(36(23-27)48-3)52-37(40(49-4)29-13-17-32(43)35(24-29)47-2)25-51-39(45)19-11-26-7-14-30(41)15-8-26/h7-20,22-24,37,40-43H,5-6,21,25H2,1-4H3/b19-11+,20-12+/t37-,40-/m0/s1

inchikey

  • XJRGSDSGSICBNP-LJAWTHKASA-N

mass

  • 714.75430

monoisotopicmass

  • 714.26763

smiles

  • CO[C@H]([C@H](COC(=O)/C=C/c1ccc(O)cc1)Oc1ccc(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)cc1OC)c1ccc(O)c(OC)c1

subset

  • 2_STAR

synonym RELATED

  • (-)-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-2-methoxyphenoxy]-3-methoxypropyl](E)-3-(4-hydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70668

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