input word = C00033292

Metabolite InformationStructural formula
Name Patavine
(-)-Patavine
Formula C36H40O19
Mw 776.2163791
CAS RN 464195-59-3
C_ID C00033292 ,
InChIKey FSCCKDWQFMYRMK-MQRJXQIGNA-N
InChICode InChI=1S/C36H40O19/c1-45-20-6-16-17(7-21(20)46-2)28(18-8-47-31(42)25(18)24(16)15-3-4-19-22(5-15)52-14-51-19)54-34-30(36(44,11-38)13-50-34)55-32-27(40)26(39)23(9-48-32)53-33-29(41)35(43,10-37)12-49-33/h3-7,23,26-27,29-30,32-34,37-41,43-44H,8-14H2,1-2H3/t23-,26-,27+,29-,30-,32-,33-,34+,35+,36+/m0/s1
SMILES c12c(c(c3c(c1O[C@@H]1[C@@H]([C@](CO1)(CO)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)cc(c(c3)OC)OC)c1cc3c(cc1)OCO3)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum patavinum Ref.
PlantaeRutaceaeHaplophyllum patavium Ref.
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OrganismHaplophyllum patavium
ReferenceINNOCENTI, et al., Chem Pharm Bull, 50, (2002), 844