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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > ganoderic acid xl5
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > ganoderic acid xl5

Preferred term

ganoderic acid xl5  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O8

inchi

  • InChI=1S/C31H48O8/c1-15(11-19(33)26(37)16(2)27(38)39-8)17-12-23(36)31(7)25-18(32)13-21-28(3,4)22(35)9-10-29(21,5)24(25)20(34)14-30(17,31)6/h15-18,21-23,26,32,35-37H,9-14H2,1-8H3/t15-,16?,17-,18+,21+,22+,23+,26+,29+,30-,31+/m1/s1

inchikey

  • CUFBLDXHAWKOJF-SGWXKGRTSA-N

mass

  • 548.717

monoisotopicmass

  • 548.33492

smiles

  • O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)[C@@H](O)C(C(=O)OC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3S,6R)-3-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218469

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