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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 > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > (3r)-4alpha,4aalpha,8abeta-trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1h-2-benzothiopyran-6(5h)-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > (3r)-4alpha,4aalpha,8abeta-trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1h-2-benzothiopyran-6(5h)-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > (3r)-4alpha,4aalpha,8abeta-trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1h-2-benzothiopyran-6(5h)-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > (3r)-4alpha,4aalpha,8abeta-trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1h-2-benzothiopyran-6(5h)-one

Preferred term

(3r)-4alpha,4aalpha,8abeta-trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1h-2-benzothiopyran-6(5h)-one  

Type

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

Broader concept

charge

  • 0

formula

  • C16H26O5S

inchi

  • InChI=1S/C16H26O5S/c1-10(2)5-6-12-14(3,18)16(20)13(21-4)11(17)7-8-15(16,19)9-22-12/h5,12-13,18-20H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1

inchikey

  • MLVINQDIVHYGRR-OWYFMNJBSA-N

mass

  • 330.440

monoisotopicmass

  • 330.15010

smiles

  • S1[C@@H]([C@](O)([C@@]2(O)[C@H](OC)C(=O)CC[C@@]2(C1)O)C)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4R,4aR,5S,8aR)-4,4a,8a-trihydroxy-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-3,5,7,8-tetrahydro-1H-isothiochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199071

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