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

Preferred term

naquihexcin c  

Type

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

Broader concept

charge

  • 0

formula

  • C40H42O20S

inchi

  • InChI=1S/C40H42O20S/c1-15-39(53)33(50)25-19(7-5-9-21(25)41)31(48)37(39,13-17(57-15)11-23(43)55-3)61-38-14-18(12-24(44)59-36-29(47)27(45)28(46)30(60-36)35(52)56-4)58-16(2)40(38,54)34(51)26-20(32(38)49)8-6-10-22(26)42/h5-10,15-18,27-30,36,41-42,45-47,53-54H,11-14H2,1-4H3/t15-,16-,17-,18-,27+,28+,29-,30+,36-,37+,38+,39+,40+/m0/s1

inchikey

  • LPURMMXUUTWHLP-SUWHOYOOSA-N

mass

  • 874.820

monoisotopicmass

  • 874.19901

smiles

  • S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)O[C@H]4O[C@@H](C(=O)OC)[C@H](O)[C@H]([C@@H]4O)O)C)=O)[C@]56C(=O)C7=C(C(O)=CC=C7)C([C@]5(O)[C@@H](O[C@H](C6)CC(=O)OC)C)=O

subset

  • 2_STAR

synonym EXACT

  • methyl (2R,3R,4R,5S,6R)-6-[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]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224372

Download this concept:

RDF/XML TURTLE JSON-LD