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Concept information

ترکیب اکسیژن ارگانیک > کلادوسپورینون

Preferred term

کلادوسپورینون  

Type

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

charge

  • 0

formula

  • C33H30O14

inchi

  • InChI=1S/C33H30O14/c1-43-21-11-19(35)26-17(7-13-6-16(10-24(38)46-4)47-33(42)25(13)31(26)40)28(21)29-18-8-14(5-15(34)9-23(37)45-3)30(39)32(41)27(18)20(36)12-22(29)44-2/h7-8,11-12,15-16,34-36,40H,5-6,9-10H2,1-4H3/t15?,16-/m0/s1

inchikey

  • ZOQQZBXWLMQSFV-LYKKTTPLSA-N

mass

  • 650.589

monoisotopicmass

  • 650.16356

smiles

  • O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C5=C4C=C(CC(O)CC(=O)OC)C(C5=O)=O)CC(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl 4-[8-[(3S)-9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-5-hydroxy-7-methoxy-3,4-dioxonaphthalen-2-yl]-3-hydroxybutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225615

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