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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 > triterpenoid > inonotusol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > inonotusol a

Preferred term

inonotusol a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O6

inchi

  • InChI=1S/C30H48O6/c1-26(2)20-13-18(31)24-23(28(20,5)11-10-21(26)33)19(32)14-29(6)17(12-22(34)30(24,29)7)15-8-9-16(25(15)35)27(3,4)36/h15-17,19-22,25,32-36H,8-14H2,1-7H3/t15-,16+,17-,19-,20?,21-,22+,25+,28+,29-,30+/m1/s1

inchikey

  • WOIZIKUNTKKOTL-NHXWAXDWSA-N

mass

  • 504.708

monoisotopicmass

  • 504.34509

smiles

  • O=C1C2=C([C@]3(CC[C@H](C(C3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2([C@@H](O)C[C@@H]4[C@@H]5[C@H](O)[C@@H](C(O)(C)C)CC5)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,10S,11R,13R,14R,15S,17R)-3,11,15-trihydroxy-17-[(1R,2S,3S)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211764

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