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Concept information

Preferred term

hygrocin f  

Type

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

charge

  • 0

formula

  • C29H31NO9

inchi

  • InChI=1S/C29H31NO9/c1-5-16-6-8-19(32)24-23-17(10-13(2)25(24)34)29(38)18(27(36)30-22(29)12-20(23)33)11-14(3)26(35)28(37)39-21(9-7-16)15(4)31/h7,9-12,15-16,18,21,31,34,38H,5-6,8H2,1-4H3,(H,30,36)/t15-,16+,18+,21-,29+/m1/s1

inchikey

  • WXYOJFGZCRSXDT-SECAHVEMSA-N

mass

  • 537.565

monoisotopicmass

  • 537.19988

smiles

  • O=C1O[C@H](C=C[C@H](CCC(=O)C=2C3=C([C@@]4([C@@H](C=C(C1=O)C)C(=O)NC4=CC3=O)O)C=C(C)C2O)CC)[C@H](O)C

subset

  • 2_STAR

synonym EXACT

  • (9S,12R,18R,25R)-9-ethyl-4,25-dihydroxy-12-[(1R)-1-hydroxyethyl]-3,16-dimethyl-13-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,14,15,19,23-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203088

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