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

Preferred term

bistachybotrysin y  

Type

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

Broader concept

charge

  • 0

formula

  • C50H66O13

inchi

  • InChI=1S/C50H66O13/c1-22-11-13-34-45(5,6)42(59-24(3)51)32(55)19-47(34,9)49(22)17-28-30(53)15-26-21-58-44-37-27(38(57)41(61-44)36(26)39(28)62-49)16-31(54)29-18-50(63-40(29)37)23(2)12-14-35-46(7,8)43(60-25(4)52)33(56)20-48(35,50)10/h15-16,22-23,32-35,38,41-44,53-57H,11-14,17-21H2,1-10H3/t22-,23-,32-,33-,34+,35+,38+,41+,42-,43-,44+,47+,48+,49-,50-/m1/s1

inchikey

  • PLYBFRBBMRWYMN-MQTZYYILSA-N

mass

  • 875.065

monoisotopicmass

  • 874.45034

smiles

  • O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C5=C([C@H](O)[C@@H]6C=7C=8O[C@]9([C@@]%10([C@H](C([C@H](OC(=O)C)[C@@H](C%10)O)(C)C)CC[C@H]9C)C)CC8C(=CC7CO[C@H]5O6)O)C=C(C4C3)O)[C@H](C)CC2)(C)C[C@H]1O)(C)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214614

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