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Chemistry, part 2

Content language

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

Preferred term

myrotheside c  

Type

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

Broader concept

charge

  • 0

formula

  • C38H62O9

inchi

  • InChI=1S/C38H62O9/c1-19(2)21-16-23(45-32-29(42)28(41)30(43-8)24(18-39)46-32)31-35(21,5)14-15-36(6)27-20(10-12-37(31,36)7)38-13-11-26(40)34(3,4)25(38)17-22(27)47-33(38)44-9/h10,19,21-33,39-42H,11-18H2,1-9H3/t21-,22-,23+,24+,25-,26-,27-,28+,29-,30+,31-,32-,33+,35-,36-,37+,38-/m0/s1

inchikey

  • LGQJBCCTOFCNJY-KELRKIPVSA-N

mass

  • 662.905

monoisotopicmass

  • 662.43938

smiles

  • O1[C@@H](OC)[C@@]23C4=CC[C@]5([C@]([C@@H]4[C@@H]1C[C@H]2C([C@@H](O)CC3)(C)C)(CC[C@@]6([C@@H]5[C@H](O[C@H]7O[C@@H]([C@@H](OC)[C@@H]([C@@H]7O)O)CO)C[C@H]6C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4R,5S,6R)-2-[[(1R,5R,6S,7R,9S,10S,13S,14S,15S,17S,19S,22R)-19-hydroxy-22-methoxy-5,10,13,18,18-pentamethyl-9-propan-2-yl-23-oxahexacyclo[13.6.2.01,17.02,14.05,13.06,10]tricos-2-en-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207648

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