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

Concept information

Preferred term

cymarin  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O9

inchi

  • InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

inchikey

  • XQCGNURMLWFQJR-ZNDDOCHDSA-N

mass

  • 548.666

monoisotopicmass

  • 548.29853

smiles

  • CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@H]1O

subset

  • 2_STAR

synonym EXACT

  • Cymarin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4037

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