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

Concept information

Preferred term

chaetoglobosin e  

Type

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

charge

  • 0

formula

  • C32H38N2O5

inchi

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

inchikey

  • FPNAKNFLJIQADW-CNYNBRRPSA-N

mass

  • 530.65450

monoisotopicmass

  • 530.27807

smiles

  • C[C@H]1C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CC[C@H](O)C(=O)/C(C)=C/1

subset

  • 3_STAR

synonym EXACT

  • (3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68731

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