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Chemistry, part 2

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

Preferred term

erinacine s  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O6

inchi

  • InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-20(23)31-21-25(17,29)24(28,11-30-21)19(27)18(14)26/h12,15,17,20-21,26,28-29H,5-11H2,1-4H3/t15-,17-,20+,21+,22-,23-,24+,25+/m1/s1

inchikey

  • YQAQVNZGKXQJMK-ACIBSNEHSA-N

mass

  • 430.541

monoisotopicmass

  • 430.23554

smiles

  • O=C1C(O)=C2[C@@H]3[C@@H]([C@@]4(CC[C@@]5(C([C@H]4CC2)=C(C(C)C)CC5)C)C)O[C@H]6[C@@]3([C@]1(O)CO6)O

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5R,10R,16R,19S,20R,21R)-14,16,20-trihydroxy-2,5-dimethyl-8-propan-2-yl-18,22-dioxahexacyclo[17.2.1.02,10.05,9.013,21.016,20]docosa-8,13-dien-15-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200316

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