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

Concept information

Preferred term

lanceotoxin b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O11

has_functional_parent

inchi

  • InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1

inchikey

  • IKNIMVNUBXHADS-YGGZPGJKSA-N

mass

  • 604.686

monoisotopicmass

  • 604.28836

smiles

  • C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@]3(C2)OC(C)=O)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O

subset

  • 2_STAR

synonym EXACT

  • Lanceotoxin B

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6372

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