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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 > diterpenoid > albatrellin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > albatrellin

Preferred term

albatrellin  

Type

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

Broader concept

charge

  • 0

formula

  • C44H56O6

inchi

  • InChI=1S/C44H56O6/c1-27(2)13-10-14-29(5)15-11-16-30(6)20-22-37-42(48)40(33(9)41(47)43(37)49)44-34(26-35(50-44)23-28(3)4)18-12-17-31(7)19-21-36-38(45)24-32(8)25-39(36)46/h13,15,19-20,23-26,45-46,48H,10-12,14,16-18,21-22H2,1-9H3/b29-15+,30-20+,31-19+

inchikey

  • LCOOCCCTANLRMU-FGESODLRSA-N

mass

  • 680.926

monoisotopicmass

  • 680.40769

smiles

  • O=C1C(=O)C(=C(C=2OC(C=C(C)C)=CC2CCC/C(=C/CC3=C(O)C=C(C)C=C3O)/C)C(=C1C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)O)C

subset

  • 2_STAR

synonym EXACT

  • 4-[3-[(E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-enyl]-5-(2-methylprop-1-enyl)uran-2-yl]-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-3,5-diene-1,2-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227448

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