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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 > resinacein k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > resinacein k

Preferred term

resinacein k  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O7

inchi

  • InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18-,21?,22+,28+,29-,30+/m1/s1

inchikey

  • SXBOKJLQZQAVPU-MRRHUKJASA-N

mass

  • 512.643

monoisotopicmass

  • 512.27740

smiles

  • O=C1C2=C(C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)/C(=C/C(=O)CC(C(=O)O)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (Z)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215563

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