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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 > isoprenoid > terpenoid > diterpenoid > erinacine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > erinacine a

Preferred term

erinacine a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36O6

inchi

  • InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21+,22-,23+,24-,25-/m1/s1

inchikey

  • LPPCHLAEVDUIIW-NLLUTMDRSA-N

mass

  • 432.557

monoisotopicmass

  • 432.25119

smiles

  • O([C@@H]1[C@@]2(CC[C@@]3(C(C2=CC=C(C1)C=O)=C(CC3)C(C)C)C)C)[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O

subset

  • 2_STAR

synonym EXACT

  • (3aR,5aR,6S)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175499

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