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Concept information

Preferred term

torrubiellin b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H20O10

inchi

  • InChI=1S/C30H20O10/c1-9-4-12-19(15(32)5-9)27(38)23-14(31)3-2-13-18-10(8-30(13,23)29(12)40)6-16(33)21-22(18)24(35)11-7-17(34)25(36)28(39)20(11)26(21)37/h2-7,13,29,32-34,36,38-40H,8H2,1H3/t13-,29+,30-/m0/s1

inchikey

  • XCQTTYCCBFUODW-XFNOWFNXSA-N

mass

  • 540.480

monoisotopicmass

  • 540.10565

smiles

  • O=C1C2=C(C(=O)C=3C1=C(O)C(O)=C(O)C3)C4=C(C[C@]56[C@H]4C=CC(=O)C5=C(O)C=7C(O)=CC(=CC7[C@H]6O)C)C=C2O

subset

  • 2_STAR

synonym EXACT

  • (1S,17S,29R)-5,9,10,11,22,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.01,21.03,16.06,15.08,13.023,28]nonacosa-3,5,8,10,12,15,18,21,23(28),24,26-undecaene-7,14,20-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207550

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