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Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

rubellin a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H22O9

inchi

  • InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28-17(32)6-5-15-20-12(10-30(15,28)27(14)37)9-19(34)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17+,27+,28-,30+/m1/s1

inchikey

  • MIKZOUDYDHOEBX-PXUZYFJJSA-N

mass

  • 526.497

monoisotopicmass

  • 526.12638

smiles

  • O=C1O[C@H]2[C@@]3([C@@H](C=4C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=CC4C3)O)=O)C=C[C@@H]2O)[C@H](C=7C1=C(O)C=C(C)C7)O

subset

  • 2_STAR

synonym EXACT

  • (1S,17R,20S,21S,30S)-5,9,20,25,30-pentahydroxy-27-methyl-22-oxaheptacyclo[15.13.0.01,21.03,16.06,15.08,13.024,29]triaconta-3,5,8(13),9,11,15,18,24(29),25,27-decaene-7,14,23-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204907

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