Concept information
Preferred term
Myrothecine H
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C29H36O9
inchi
- InChI=1S/C29H36O9/c1-16-7-10-27-15-35-23(32)12-18-8-11-36-28(17(2)30,24(18)33)9-5-4-6-22(31)37-20-13-21-29(34,26(20,27)3)14-19(16)25(27)38-21/h4,6,12,19-21,24-25,33-34H,1,5,7-11,13-15H2,2-3H3/b6-4-,18-12-/t19-,20+,21+,24+,25+,26+,27+,28+,29-/m0/s1
inchikey
- VMSOOBKRIXKGTO-QOEVTPAHSA-N
mass
- 528.598
monoisotopicmass
- 528.23593
smiles
- O=C1OC[C@@]23[C@@]4([C@@]5(O)[C@H](O[C@@H]2[C@H](C(=C)CC3)C5)C[C@H]4OC(=O)C=CCC[C@]6([C@@H](C(=C1)CCO6)O)C(=O)C)C
subset
- 2_STAR
synonym EXACT
- (1R,2S,3R,6Z,10S,14E,19R,23S,24R,26R,29R)-10-acetyl-1,29-dihydroxy-2-methyl-22-methylidene-4,11,17,25-tetraoxahexacyclo[21.3.1.13,26.110,14.02,19.019,24]nonacosa-6,14-diene-5,16-dione
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:214262
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