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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 > organic hydroxy compound > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > 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 polycyclic compound > steroid > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > (1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one

Preferred term

(1r,3r,5r,6s,9s,10r)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O6

inchi

  • InChI=1S/C21H30O6/c1-6-18(4)10-12(22)14-13(16(18)26-5)15(23)20(24)21(25)17(2,3)8-7-9-19(14,21)11-27-20/h6,12,16,22,24-25H,1,7-11H2,2-5H3/t12-,16-,18+,19+,20-,21-/m1/s1

inchikey

  • VCNLMXIMSMCNMZ-DFILUXEFSA-N

mass

  • 378.465

monoisotopicmass

  • 378.20424

smiles

  • O=C1C2=C([C@]34CCCC([C@@]4([C@@]1(OC3)O)O)(C)C)[C@H](O)C[C@@]([C@@H]2OC)(C=C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205680

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