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

Preferred term

inonotusol c  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O5

inchi

  • InChI=1S/C30H48O5/c1-26(2,35)21-8-7-17(25(21)34)18-11-13-29(5)19-9-10-22-27(3,16-31)23(32)15-24(33)30(22,6)20(19)12-14-28(18,29)4/h9,12,17-18,21-25,31-35H,7-8,10-11,13-16H2,1-6H3/t17-,18-,21+,22+,23+,24+,25+,27+,28-,29+,30-/m1/s1

inchikey

  • BUJWEABYUGXDHV-ZLINROKRSA-N

mass

  • 488.709

monoisotopicmass

  • 488.35017

smiles

  • OC([C@@H]1[C@@H](O)[C@@H]([C@@H]2[C@@]3([C@@](C=4C([C@]5([C@@H](O)C[C@H](O)[C@]([C@@H]5CC4)(CO)C)C)=CC3)(C)CC2)C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4R,5R,10S,13R,14R,17R)-17-[(1R,2S,3S)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216303

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