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

Concept information

Preferred term

ansaseomycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H35NO8

inchi

  • InChI=1S/C32H35NO8/c1-13(2)10-18-11-17-7-8-19-12-21(35)33-32(19)25(17)30(40)22-23(28(38)16(5)29(39)24(22)31(32)41)26(36)14(3)6-9-20(34)15(4)27(18)37/h6-8,11,13,15,17,19-20,25,34,38-39H,9-10,12H2,1-5H3,(H,33,35)/b14-6+,18-11+/t15-,17-,19+,20+,25-,32+/m0/s1

inchikey

  • AJWGGFMULPXHBT-XUXDUDAXSA-N

mass

  • 561.631

monoisotopicmass

  • 561.23627

smiles

  • O=C1C(=CC[C@@H](O)[C@@H](C(=O)C(CC(C)C)=C[C@H]2[C@H]3C(C=4C1=C(O)C(=C(O)C4C(=O)[C@@]53NC(=O)C[C@H]5C=C2)C)=O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,5S,8S,9E,12S,13R,15E,25R)-13,19,21-trihydroxy-12,16,20-trimethyl-10-(2-methylpropyl)-2-azapentacyclo[20.3.1.01,5.08,25.018,23]hexacosa-6,9,15,18(23),19,21-hexaene-3,11,17,24,26-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209758

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