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Chemistry, part 2

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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 > olefinic compound > stilbenoid > (3s,3's,4'r,6's,8'r,8'ar)-8'-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > stilbenoid > (3s,3's,4'r,6's,8'r,8'ar)-8'-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > (3s,3's,4'r,6's,8'r,8'ar)-8'-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > (3s,3's,4'r,6's,8'r,8'ar)-8'-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

Preferred term

(3s,3's,4'r,6's,8'r,8'ar)-8'-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1h-indole-3,7'-4,6,8,8a-tetrahydro-3h-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C44H39N3O7

inchi

  • InChI=1S/C44H39N3O7/c1-52-34-23-29-21-22-46(25-30(29)24-35(34)53-2)41(49)36-38-42(50)54-39(27-13-7-4-8-14-27)37(26-11-5-3-6-12-26)47(38)40(28-17-19-31(48)20-18-28)44(36)32-15-9-10-16-33(32)45-43(44)51/h3-20,23-24,36-40,48H,21-22,25H2,1-2H3,(H,45,51)/t36-,37-,38-,39+,40+,44-/m1/s1

inchikey

  • XSLAKCDQFXHWHL-KTDJTCJASA-N

mass

  • 721.798

monoisotopicmass

  • 721.27880

smiles

  • COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=CC=CC=C6NC5=O)C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94124

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