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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 > terpene glycoside > isopetasoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > isopetasoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > isopetasoside

Preferred term

isopetasoside  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O7

inchi

  • InChI=1S/C21H32O7/c1-10(2)13-8-21(4)11(3)15(6-5-12(21)7-14(13)23)27-20-19(26)18(25)17(24)16(9-22)28-20/h7,11,15-20,22,24-26H,5-6,8-9H2,1-4H3

inchikey

  • AVZCSGMWWXMJEA-UHFFFAOYSA-N

mass

  • 396.480

monoisotopicmass

  • 396.21480

smiles

  • O(C1C(C2(C(CC1)=CC(=O)C(C2)=C(C)C)C)C)C3OC(C(O)C(O)C3O)CO

subset

  • 2_STAR

synonym EXACT

  • 4a,5-dimethyl-3-propan-2-ylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-4H-naphthalen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168841

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