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Concept information

Preferred term

phomopchalasin b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H35NO4

inchi

  • InChI=1S/C28H35NO4/c1-13-10-14(2)20-21-19(11-13)33-25-16(4)15(3)22-18(12-17-8-6-5-7-9-17)29-27(32)28(22,23(21)25)26(31)24(20)30/h5-10,13,15,18-26,30-31H,4,11-12H2,1-3H3,(H,29,32)/t13-,15-,18+,19-,20+,21?,22+,23+,24-,25-,26-,28-/m1/s1

inchikey

  • MLMRFXVBCDFIAD-LTMHNWRYSA-N

mass

  • 449.591

monoisotopicmass

  • 449.25661

smiles

  • O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](O)[C@H](O)[C@H]5C(=C[C@H](C[C@@H]6C5[C@H]4[C@H](O6)C([C@H]3C)=C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4R,5S,8R,9S,10R,11R,14S,16R,18R)-5-benzyl-9,10-dihydroxy-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.04,8.08,18.011,17]nonadec-12-en-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216214

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