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Chemistry, part 2

Content language

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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 > sesquarterpenoid > cercosporene f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquarterpenoid > cercosporene f

Preferred term

cercosporene f  

Type

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

Broader concept

charge

  • 0

formula

  • C40H52O8

inchi

  • InChI=1S/C40H52O8/c1-19(2)29-35(47)33(45)25-15-23-21(31(43)27(41)17-37(23,5)11-13-39(25,29)7)9-10-22-24-16-26-34(46)36(48)30(20(3)4)40(26,8)14-12-38(24,6)18-28(42)32(22)44/h15,19-20,27-28,30,41-42,46-47H,9-14,16-18H2,1-8H3/t27-,28+,30+,37-,38-,39+,40+/m1/s1

inchikey

  • VOGUQGKZIRVTPC-VQDGCAADSA-N

mass

  • 660.848

monoisotopicmass

  • 660.36622

smiles

  • O=C1C(=C2C=C3C(=O)C(O)=C([C@@]3(C)CC[C@]2(C)C[C@H]1O)C(C)C)CCC=4C(=O)[C@@H](O)C[C@@]5(C4CC6=C(O)C(=O)[C@@H]([C@@]6(C)CC5)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3aR,5aR,7R)-9-[2-[(3R,3aR,5aR,7S)-1,7-dihydroxy-3a,5a-dimethyl-2,8-dioxo-3-propan-2-yl-3,4,5,6,7,10-hexahydrobenzo[]azulen-9-yl]ethyl]-2,7-dihydroxy-3a,5a-dimethyl-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198212

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