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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 > diterpene glycoside > sf2487
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > sf2487
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > sf2487
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > sf2487
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > diterpene glycoside > sf2487

Preferred term

sf2487  

Type

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

Broader concept

charge

  • 0

formula

  • C42H68O12

inchi

  • InChI=1S/C42H68O12/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49/h10,17,22-24,26,28-36,38-41,43-46,48-49H,6,9,11-16,18-20H2,1-5,7-8H3/b21-10+,27-17+

inchikey

  • MCNBCMMOFDOVFQ-KPWZZBQESA-N

mass

  • 764.994

monoisotopicmass

  • 764.47108

smiles

  • O=C1C(OC(C1C(O)C(OC)C2C(/C=C(/C3OC(/C(=C/CC4OC(C5OC(C(O)CC)CC5)(C)CC4C)/C)C(C)CC3)/CO)CC(C)C(C2CO)O)O)=C

subset

  • 2_STAR

synonym EXACT

  • 5-hydroxy-4-[1-hydroxy-2-[3-hydroxy-6-[(E)-3-hydroxy-2-[6-[(E)-4-[5-[5-(1-hydroxypropyl)oxolan-2-yl]-3,5-dimethyloxolan-2-yl]but-2-en-2-yl]-5-methyloxan-2-yl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxyethyl]-2-methylideneoxolan-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219927

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