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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 > sesquiterpenoid > zg-1494alpha
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > zg-1494alpha

Preferred term

zg-1494alpha  

Type

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

Broader concept

charge

  • 0

formula

  • C32H43NO4

inchi

  • InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19?,20-,26+,27-,28+,31+,32?/m0/s1

inchikey

  • DZMMOKIPXHQOJN-KXVCVXEUSA-N

mass

  • 505.699

monoisotopicmass

  • 505.31921

smiles

  • O=C1NC(O)(CC2=CC=C(O)C=C2)C=C1C(=O)[C@H]3[C@H](C(=C[C@@]4([C@@H]3CC[C@@H](C4)C)C)C)/C(=C/C(CC)C)/C

subset

  • 2_STAR

synonym EXACT

  • 3-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-hydroxy-5-[(4-hydroxyphenyl)methyl]-1H-pyrrol-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220176

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