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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 > biexcisusin b, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > biexcisusin b, (rel)-

Preferred term

biexcisusin b, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C48H68O14

has_role

inchi

  • InChI=1S/C48H68O14/c1-21(49)58-30-13-25-17-46(19-28(53)36-42(5,6)34(60-23(3)51)15-32(55)44(36,9)38(30)46)40-27(25)11-12-48(62-40)26-14-31(59-22(2)50)39-45(10)33(56)16-35(61-24(4)52)43(7,8)37(45)29(54)20-47(39,18-26)41(48)57/h25-26,28-39,53-56H,11-20H2,1-10H3/t25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1

inchikey

  • LXQRUBFETHTMTE-XTETYGSLSA-N

mass

  • 869.04510

monoisotopicmass

  • 868.46091

smiles

  • [H][C@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@@]4([H])[C@@H](O)C[C@]3(C1)C1=C2CC[C@@]2(O1)C(=O)[C@@]13C[C@H](O)[C@]4([H])C(C)(C)[C@H](C[C@H](O)[C@@]4(C)[C@]1([H])[C@H](C[C@@]2([H])C3)OC(C)=O)OC(C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68976

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