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Concept information

Preferred term

Ganoleucoin W  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O8

inchi

  • InChI=1S/C30H42O8/c1-15(8-7-9-16(2)26(37)38)17-12-21(34)30(6)22-18(32)13-19-27(3,11-10-20(33)28(19,4)14-31)23(22)24(35)25(36)29(17,30)5/h9,15,17,19-20,25,31,33,36H,7-8,10-14H2,1-6H3,(H,37,38)/t15-,17-,19-,20-,25-,27+,28-,29+,30+/m1/s1

inchikey

  • VNOIWHRRFVTZJT-LZLZEIBYSA-N

mass

  • 530.658

monoisotopicmass

  • 530.28797

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218116

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