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

Preferred term

bruceantinol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H38O13

inchi

  • InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1

inchikey

  • SREUSBYRKOPNJK-AJPRWBMOSA-N

mass

  • 606.616

monoisotopicmass

  • 606.23124

smiles

  • COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(/C)C(C)(C)OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O

subset

  • 2_STAR

synonym EXACT

  • Bruceantinol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3189

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