skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naquihexcin a
... > 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 > organic tricyclic compound > organic heterotricyclic compound > naquihexcin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naquihexcin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naquihexcin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naquihexcin a
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naquihexcin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naquihexcin a
organooxygen compound > naquihexcin a

Preferred term

naquihexcin a  

Type

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

Broader concept

charge

  • 0

formula

  • C39H40O18S

inchi

  • InChI=1S/C39H40O18S/c1-16-38(51)32(47)27-20(6-4-8-22(27)40)30(45)36(38,14-18(55-16)10-11-54-35-29(44)24(42)13-25(57-35)34(49)50)58-37-15-19(12-26(43)53-3)56-17(2)39(37,52)33(48)28-21(31(37)46)7-5-9-23(28)41/h4-9,13,16-19,24,29,35,40-42,44,51-52H,10-12,14-15H2,1-3H3,(H,49,50)/t16-,17-,18-,19-,24+,29-,35-,36+,37+,38+,39+/m0/s1

inchikey

  • TUFQKXHDMLHEAD-KMWCMRFGSA-N

mass

  • 828.790

monoisotopicmass

  • 828.19354

smiles

  • S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO[C@H]7OC(C(=O)O)=C[C@H]([C@@H]7O)O)C)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4R)-2-[2-[(1S,3S,4aS,10aR)-4a-[[(1S,3S,4aS,10aR)-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210211

Download this concept:

RDF/XML TURTLE JSON-LD