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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 x
... > 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 x
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > (-)-(7's,8's)-threo-carolignan x

Preferred term

(-)-(7's,8's)-threo-carolignan x  

Type

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

Broader concept

charge

  • 0

formula

  • C39H40O12

has_role

inchi

  • InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39-/m0/s1

inchikey

  • ZLYDRQZJTMLSQL-GUOZKVRWSA-N

mass

  • 700.72770

monoisotopicmass

  • 700.25198

smiles

  • COc1cc(/C=C/C(=O)OCCCc2ccc(O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O

subset

  • 2_STAR

synonym RELATED

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70666

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