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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 > organic hydroxy compound > alcohol > tertiary alcohol > phomactin b1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > phomactin b1

Preferred term

phomactin b1  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O4

inchi

  • InChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15-,17-,18+,19-,20+/m1/s1

inchikey

  • IXABPXZNFDNAMM-SIMHYOILSA-N

mass

  • 334.456

monoisotopicmass

  • 334.21441

smiles

  • O=C1C2=C[C@@H](O)[C@@H](C)[C@@]([C@]2(O)C)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,8E,12S,13S,14R,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212046

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