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Concept information

Preferred term

Pchaeglobolactone A  

Type

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

Broader concept

charge

  • 0

formula

  • C32H38N2O5

inchi

  • InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29(37)31(4)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-26(32(22,27)30(38)39-31)13-12-25(35)28(36)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35,37H,8,12-13,15H2,1-4H3/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1

inchikey

  • IVWVYTHRUFDPRJ-USMZZGTESA-N

mass

  • 530.665

monoisotopicmass

  • 530.27807

smiles

  • O=C1C(=C[C@H](CC=C[C@@H]2[C@@]34C(CC[C@@H]1O)=N[C@@H](CC=5C6=C(C=CC=C6)NC5)[C@@H]3[C@H](C)[C@](OC4=O)(C)[C@H]2O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,3R,4S,9S,11E,13S,15E,17R,18R,21S)-9,21-dihydroxy-4-(1H-indol-3-ylmethyl)-1,2,11,13-tetramethyl-20-oxa-5-azatetracyclo[15.3.1.03,18.06,18]henicosa-5,11,15-triene-10,19-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217289

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