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 aromatic compound > phenylpropanoid > cardinalin 11
... > 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 > cardinalin 11
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cardinalin 11

Preferred term

cardinalin 11  

Type

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

Broader concept

charge

  • 0

formula

  • C32H38O11

inchi

  • InChI=1S/C32H38O11/c1-11-7-15-20(13(3)42-11)27(34)21-16(26(15)33)8-18(40-5)23(28(21)35)24-19(41-6)9-17-22(29(24)36)30(37)25-14(4)43-12(2)10-32(25,39)31(17)38/h8-9,11-15,20,25-26,31,33,35-36,38-39H,7,10H2,1-6H3/t11-,12-,13+,14+,15+,20+,25-,26+,31-,32-/m0/s1

inchikey

  • ROKFBJGGCFNGBG-LOOWBDPDSA-N

mass

  • 598.645

monoisotopicmass

  • 598.24141

smiles

  • O=C1C2=C(O)C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)=C(OC)C=C2[C@H](O)[C@]6([C@H]1[C@H](O[C@H](C6)C)C)O

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,4aS,5S,10aR)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-4a,5,9-trihydroxy-7-methoxy-1,3-dimethyl-3,4,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225041

Download this concept:

RDF/XML TURTLE JSON-LD