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Concept information

Preferred term

heronamide a  

Type

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

charge

  • 0

formula

  • C29H39NO4

inchi

  • InChI=1S/C29H39NO4/c1-4-5-6-7-8-9-12-21-17-24(32)27-26-19(3)16-20-14-15-23(31)28(33)25(20)18(2)11-10-13-22(26)29(34)30(21)27/h6-11,13-16,20-28,31-33H,4-5,12,17H2,1-3H3/b7-6+,9-8+,13-10-,18-11+,19-16+/t20-,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1

inchikey

  • APYNVIXJDXCVNV-RAAOCQATSA-N

mass

  • 465.634

monoisotopicmass

  • 465.28791

smiles

  • O=C1N2[C@@H]([C@@H](O)C[C@H]2C/C=C/C=C/CCC)[C@H]3[C@@H]1C=CC=C([C@H]4[C@H](O)[C@H](O)C=C[C@@H]4C=C3C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-7,8,19-trihydroxy-2,10-dimethyl-17-[(2E,4E)-octa-2,4-dienyl]-16-azatetracyclo[12.6.0.04,9.016,20]icosa-2,5,10,12-tetraen-15-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199505

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