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Chemistry, part 2

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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 > terpene lactone > phellinin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > phellinin a1
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > phellinin a1
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinin a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinin a1
organooxygen compound > ester > lactone > terpene lactone > phellinin a1
organooxygen compound > oxacycle > lactone > terpene lactone > phellinin a1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > phellinin a1
... > 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 heterocyclic compound > oxacycle > lactone > terpene lactone > phellinin a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > phellinin a1

Preferred term

phellinin a1  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O5

inchi

  • InChI=1S/C28H32O5/c1-18-6-5-13-27(2,3)22(18)12-15-28(4)14-11-21-25(33-28)17-20(32-26(21)31)9-7-19-8-10-23(29)24(30)16-19/h7-11,14,16-17,22,29-30H,1,5-6,12-13,15H2,2-4H3/b9-7+/t22-,28+/m0/s1

inchikey

  • SJVTTXIXXHXZLO-KKXNBBPWSA-N

mass

  • 448.559

monoisotopicmass

  • 448.22497

smiles

  • O=C1OC(=CC2=C1C=C[C@@](O2)(CC[C@H]3C(=C)CCCC3(C)C)C)/C=C/C4=CC(O)=C(O)C=C4

subset

  • 2_STAR

synonym EXACT

  • (2S)-7-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2-methylpyrano[4,3-b]pyran-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203873

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