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Concept information

Preferred term

sch-42137-10-acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C31H29NO11

inchi

  • InChI=1S/C31H29NO11/c1-5-12-8-13-19(31(38)32(12)3)25(36)22-18-14(9-17-21(22)27(13)41-10-40-17)28(39-4)30-23(24(18)35)26(37)20-15(34)6-7-16(29(20)43-30)42-11(2)33/h8,15-17,34-36H,5-7,9-10H2,1-4H3/t15?,16?,17-/m0/s1

inchikey

  • MZBKOFOJDDZCQA-JCYILVPMSA-N

mass

  • 591.569

monoisotopicmass

  • 591.17406

smiles

  • O=C1N(C(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(OC(=O)C)CCC6O)OC5C(=C4C[C@H]7C3C2OCO7)OC)CC)C

subset

  • 2_STAR

synonym EXACT

  • [(17S)-24-ethyl-3,7,28-trihydroxy-14-methoxy-25-methyl-5,26-dioxo-12,18,20-trioxa-25-azaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.022,27]nonacosa-1(28),2(15),3,6(11),13,21(29),22(27),23-octaen-10-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226401

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