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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > myrothecine h
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > myrothecine h
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > myrothecine h
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > myrothecine h
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > myrothecine h
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > myrothecine h

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214262

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