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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 > abietane diterpenoid > methyl tanshinonate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > abietane diterpenoid > methyl tanshinonate

Preferred term

methyl tanshinonate  

Type

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

Broader concept

charge

  • 0

formula

  • C20H18O5

has_role

inchi

  • InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1

inchikey

  • YFDKIHAZVQFLRC-FQEVSTJZSA-N

mass

  • 338.359

monoisotopicmass

  • 338.11542

smiles

  • C[C@@]1(CCCC2=C1C=CC=3C4=C(C(C(C23)=O)=O)C(=CO4)C)C(OC)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149859

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