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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > actinoplanic acid a
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > 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 > actinoplanic acid a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > 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 > actinoplanic acid a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > actinoplanic acid a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > actinoplanic acid a

Preferred term

actinoplanic acid a  

Type

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

Broader concept

charge

  • 0

formula

  • C51H80O16

inchi

  • InChI=1S/C51H80O16/c1-9-39(25-36(7)49(59)60)43(52)21-19-38-24-33(4)22-32(3)23-35(6)48(58)34(5)17-20-42(67-47(57)29-41(51(63)64)27-45(55)65-30-38)15-13-11-10-12-14-31(2)16-18-37(8)66-46(56)28-40(50(61)62)26-44(53)54/h12,14,23-24,31,33-37,39-42,48,58H,9-11,13,15-22,25-30H2,1-8H3,(H,53,54)(H,59,60)(H,61,62)(H,63,64)/b14-12+,32-23+,38-24-

inchikey

  • ZJCPEIGQYKMZFE-PXQKRTIOSA-N

mass

  • 949.185

monoisotopicmass

  • 948.54464

smiles

  • O=C1OC(CCC(C(O)C(C=C(CC(C=C(COC(CC(C1)C(=O)O)=O)CCC(=O)C(CC(C(=O)O)C)CC)C)C)C)C)CCCC/C=C/C(CCC(OC(=O)CC(C(=O)O)CC(=O)O)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[2-[(E)-11-[(14E,18Z)-4-carboxy-19-(6-carboxy-4-ethyl-3-oxoheptyl)-12-hydroxy-11,13,15,17-tetramethyl-2,6-dioxo-1,7-dioxacycloicosa-14,18-dien-8-yl]-5-methylundec-6-en-2-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214463

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