skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > oxacycle > oxanes > 17-methoxycochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > oxanes > 17-methoxycochlioquinone 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 > oxacycle > oxanes > 17-methoxycochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > oxanes > 17-methoxycochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxanes > 17-methoxycochlioquinone 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 heteromonocyclic compound > oxanes > 17-methoxycochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxanes > 17-methoxycochlioquinone a

Preferred term

17-methoxycochlioquinone a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O9

inchi

  • InChI=1S/C31H46O9/c1-10-15(2)25(38-17(4)32)16(3)20-22(33)27-21(23(34)26(20)37-9)24(35)28-30(7)13-11-18(29(5,6)36)39-19(30)12-14-31(28,8)40-27/h15-16,18-19,24-25,28,35-36H,10-14H2,1-9H3/t15-,16-,18+,19+,24+,25+,28+,30-,31+/m0/s1

inchikey

  • ZJQALHWZSULQNP-IELNQHAWSA-N

mass

  • 562.700

monoisotopicmass

  • 562.31418

smiles

  • O=C1C(OC)=C(C(=O)C2=C1[C@@H](O)[C@@H]3[C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC[C@]3(O2)C)C)[C@@H]([C@H](OC(=O)C)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202255

Download this concept:

RDF/XML TURTLE JSON-LD