input word = C00031434

Metabolite InformationStructural formula
Name Uncarinic acid B
Formula C40H56O7
Mw 648.40260414
CAS RN 238748-74-8
C_ID C00031434 ,
InChIKey HIFZHAYMNQEZKV-YMAWLJEWNA-N
InChICode InChI=1S/C40H56O7/c1-35(2)18-19-39(34(44)45)20-21-40(24-47-33(43)13-9-25-8-11-28(41)29(22-25)46-7)26(27(39)23-35)10-12-31-37(5)16-15-32(42)36(3,4)30(37)14-17-38(31,40)6/h8-11,13,22,27,30-32,41-42H,12,14-21,23-24H2,1-7H3,(H,44,45)/b13-9-/t27-,30-,31+,32-,37-,38+,39-,40-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)COC(=O)/C=C\c1ccc(c(c1)OC)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus taiwanensis Ref.
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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OrganismHibiscus taiwanensis
ReferenceWu,Chem.Pharm.Bull.,53,(2005),56