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Concept information

Preferred term

گانولوکین B  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O7

inchi

  • InChI=1S/C30H44O7/c1-16(8-7-9-17(2)26(36)37)18-10-13-29(5)22-19(32)14-20-27(3,12-11-21(33)28(20,4)15-31)23(22)24(34)25(35)30(18,29)6/h9,16,18-20,25,31-32,35H,7-8,10-15H2,1-6H3,(H,36,37)/b17-9+/t16-,18-,19+,20-,25+,27+,28+,29+,30+/m1/s1

inchikey

  • KZSJJLYAVJDVEZ-BHEBFUJYSA-N

mass

  • 516.675

monoisotopicmass

  • 516.30870

smiles

  • O=C1C2=C([C@@]3(CC[C@@H]([C@]3([C@H]1O)C)[C@@H](CC/C=C(/C(=O)O)/C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC([C@]4(CO)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(4R,5R,7S,10S,12R,13R,14R,17R)-7,12-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221692

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