input word = C00032700

Metabolite InformationStructural formula
Name alpha-Amyrin cinnamate
Formula C39H56O2
Mw 556.42803103
CAS RN 13161-35-8
C_ID C00032700 ,
InChIKey SKSWXHZBFRPYAH-FOXPCMOSNA-N
InChICode InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+/t26-,27+,30+,31-,32+,34+,36-,37+,38-,39-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@](CC2)(C)CC[C@H]([C@@H]1C)C)C)C)C)(C)C)OC(=O)/C=C/c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHimatanthus sucuuba Ref.
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OrganismHimatanthus sucuuba
ReferenceWood,Chem.Pharm.Bull.,49,(2001),1477