input word = C00031632

Metabolite InformationStructural formula
Name Bismurrangatin
Formula C30H30O9
Mw 534.18898256
CAS RN 870195-55-4
C_ID C00031632 ,
InChIKey KLQREFHMRVJZGK-LRTDHXTQNA-N
InChICode InChI=1S/C30H30O9/c1-15(2)25(33)29(20-14-19(35-5)13-18-9-12-22(31)37-27(18)20)39-30(26(34)16(3)4)24-21(36-6)10-7-17-8-11-23(32)38-28(17)24/h7-14,25-26,29-30,33-34H,1,3H2,2,4-6H3/t25-,26-,29+,30-/m1/s1
SMILES C=C(C)[C@@H](O)[C@H](O[C@@H](c1cc(OC)cc2ccc(=O)oc12)[C@H](O)C(=C)C)c1c(OC)ccc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya exotica Ref.
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