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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 > methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate

Preferred term

methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O14

inchi

  • InChI=1S/C27H42O14/c1-4-14-16(6-21(32)38-10-17-12(2)19(31)5-15(17)13(7-28)8-29)18(25(36)37-3)11-39-26(14)41-27-24(35)23(34)22(33)20(9-30)40-27/h4,11-13,15-17,19-20,22-24,26-31,33-35H,5-10H2,1-3H3

inchikey

  • ZVTBPVGTFNEYQP-UHFFFAOYSA-N

mass

  • 590.619

monoisotopicmass

  • 590.25746

smiles

  • OC1C(C(C(C1)C(CO)CO)COC(=O)CC2C(C(OC3OC(C(O)C(O)C3O)CO)OC=C2C(OC)=O)=CC)C

subset

  • 2_STAR

synonym EXACT

  • methyl 4-[2-[[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181225

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