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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 > organic hydroxy compound > phenols > polyphenol > tannin > mallotusinic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > mallotusinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > mallotusinic acid
... > 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 > phenols > polyphenol > tannin > mallotusinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > mallotusinic acid

Preferred term

mallotusinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C48H32O32

inchi

  • InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(44(68)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)12-6-20(74-35-14(40(63)64)5-18(52)29(57)34(35)62)31(59)33(61)24(12)23-10(43(67)77-38)3-17(51)28(56)32(23)60/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)/t21-,26+,36-,38+,39-,46+,48+/m1/s1

inchikey

  • IHHYLDUUGFQCFR-PDRZNIRRSA-N

mass

  • 1120.750

monoisotopicmass

  • 1120.08767

smiles

  • OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)O[C@H]1[C@@H]3OC(=O)C4=CC(=O)[C@]5(O)Oc6c(O)c(O)cc(c6[C@H]4C5(O)O)C(=O)O[C@H]1[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]3COC2=O

subset

  • 2_STAR

synonym EXACT

  • Mallotusinic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6658

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