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

Preferred term

meliasenin q  

Type

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

Broader concept

charge

  • 0

formula

  • C47H82O6

has_role

inchi

  • InChI=1S/C47H82O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)53-39-28-29-45(6)35-27-31-46(7)34(33-32-37(52-42(33)51-9)41(49)44(4,5)50)26-30-47(46,8)36(35)24-25-38(45)43(39,2)3/h24,33-35,37-39,41-42,49-50H,10-23,25-32H2,1-9H3/t33-,34-,35-,37+,38-,39-,41-,42-,45+,46-,47+/m0/s1

inchikey

  • MPBJLXGRNXJCFS-YNQRKBCVSA-N

mass

  • 743.15040

monoisotopicmass

  • 742.61114

smiles

  • [H][C@@]1(C[C@]([H])([C@@H](OC)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](O)C(C)(C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70525

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