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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > acetamides > aspongamide a
organooxygen compound > carboxamide > acetamides > aspongamide a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > acetamides > aspongamide a

Preferred term

aspongamide a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H31N3O9

inchi

  • InChI=1S/C30H31N3O9/c1-14(34)31-9-8-17-4-7-25-26(10-17)42-30(33-16(3)36)28(32-15(2)35)27(18-5-6-21(37)22(38)11-18)19-12-23(39)24(40)13-20(19)29(30)41-25/h4-7,10-13,27-29,37-40H,8-9H2,1-3H3,(H,31,34)(H,32,35)(H,33,36)/t27-,28+,29-,30+/m1/s1

inchikey

  • SXYBMDDRWJBXBI-ATIZSFMBSA-N

mass

  • 577.590

monoisotopicmass

  • 577.20603

smiles

  • O1[C@@]2(NC(=O)C)[C@@H](NC(=O)C)[C@@H](C=3C([C@]2(OC4=C1C=C(C=C4)CCNC(=O)C)[H])=CC(O)=C(O)C3)C5=CC(O)=C(O)C=C5

subset

  • 2_STAR

synonym EXACT

  • N-[2-[(5R,6S,6aS,12aR)-6,6a-diacetamido-5-(3,4-dihydroxyphenyl)-2,3-dihydroxy-6,12a-dihydro-5H-benzo[a]oxanthren-9-yl]ethyl]acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188504

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