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

Preferred term

ilicicolin j  

Type

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

Broader concept

charge

  • 0

formula

  • C27H29NO4

inchi

  • InChI=1S/C27H29NO4/c1-4-5-20-21-12-15(2)6-11-19(21)16(3)13-22(20)25(30)24-26(31)23(14-28-27(24)32)17-7-9-18(29)10-8-17/h4-5,7-10,13-15,19,21,29H,6,11-12H2,1-3H3,(H2,28,31,32)/b5-4+/t15-,19+,21-/m0/s1

inchikey

  • SXXZACFJBJWCOP-NRKPLWJESA-N

mass

  • 431.532

monoisotopicmass

  • 431.20966

smiles

  • O=C1NC=C(C2=CC=C(O)C=C2)C(=C1C(=O)C3=C(/C=C/C)[C@@H]4[C@H](CC[C@@H](C4)C)C(=C3)C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221076

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