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Concept information

Preferred term

sporothrin a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H18O6

inchi

  • InChI=1S/C29H18O6/c30-18-5-1-3-14-25(18)22(34)11-13-12-23(35)26-16(4-2-6-19(26)31)29(13)17-8-10-21(33)27-20(32)9-7-15(24(17)27)28(14)29/h1-10,13,30-31,33H,11-12H2/t13-,29-/m1/s1

inchikey

  • JPASHCUBVCPLBJ-JYCIKRDWSA-N

mass

  • 462.457

monoisotopicmass

  • 462.11034

smiles

  • O=C1C2=C(O)C=CC=C2C3=C4C=5C(C(=O)C=C4)=C(O)C=CC5[C@@]63[C@H](C1)CC(=O)C7=C6C=CC=C7O

subset

  • 2_STAR

synonym EXACT

  • (2S,11S)-7,15,26-trihydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(29),3(8),4,6,14(19),15,17,20,22,25,27-undecaene-9,13,24-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214173

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