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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > (3s,3's,4s,4's,6's)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1h,1'h-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate
... > 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 > phenylpropanoid > lignan > (3s,3's,4s,4's,6's)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1h,1'h-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > (3s,3's,4s,4's,6's)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1h,1'h-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate

Preferred term

(3s,3's,4s,4's,6's)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1h,1'h-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C36H38O12

has_role

inchi

  • InChI=1S/C36H38O12/c1-15-35(47-17(3)37)20-11-22-28(26(43-7)12-27(44-8)30(22)33(39)23(20)13-45-15)31-21-9-19(41-5)10-25(42-6)29(21)34(40)24-14-46-16(2)36(32(24)31)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3/t15-,16-,35+,36+/m0/s1

inchikey

  • JCDFFJNDAXRABU-DZEHZSJLSA-N

mass

  • 662.67970

monoisotopicmass

  • 662.23633

smiles

  • COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](OC(C)=O)c3c(-c3c(OC)cc(OC)c4c(O)c5CO[C@@H](C)[C@@H](OC(C)=O)c5cc34)c2c1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67968

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