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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 > cladosporitin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > cladosporitin b

Preferred term

cladosporitin b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H43NO4

inchi

  • InChI=1S/C32H43NO4/c1-7-18(2)14-20(4)26-21(5)17-32(6)16-19(3)8-13-25(32)28(26)29(35)27-24(30(36)33-31(27)37)15-22-9-11-23(34)12-10-22/h9-12,14,17-19,24-28,34H,7-8,13,15-16H2,1-6H3,(H,33,36,37)/b20-14+/t18?,19-,24+,25+,26+,27+,28+,32+/m1/s1

inchikey

  • XZUHHLLNQRAXGH-ZEOUEQRASA-N

mass

  • 505.699

monoisotopicmass

  • 505.31921

smiles

  • O=C1NC(=O)[C@H]([C@H]1C(=O)[C@@H]2[C@H](C(=C[C@]3([C@H]2CC[C@H](C3)C)C)C)/C(=C/C(CC)C)/C)CC4=CC=C(O)C=C4

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207713

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