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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

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 > aliphatic alcohol > fusarielin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > fusarielin b

Preferred term

fusarielin b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H40O5

inchi

  • InChI=1S/C25H40O5/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-26)18-11-20(27)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,26-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1

inchikey

  • NJULGUREPHOGBR-RGIDNKBKSA-N

mass

  • 420.590

monoisotopicmass

  • 420.28757

smiles

  • O1[C@@]2([C@@H](/C(=C/C)/C)[C@@H](/C=C/C=C(/[C@@H](O)[C@H](CO)C)/C)[C@H]3[C@H]([C@H]12)C[C@](O)(C)[C@@H](C3)O)C

subset

  • 2_STAR

synonym EXACT

  • (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204083

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