input word = C00045240

Metabolite InformationStructural formula
Name beta-Amyrin 3-palmitate
beta-Amyrin palmitate
Formula C46H80O2
Mw 664.6158318
CAS RN 5973-06-8
C_ID C00045240 ,
InChIKey VFSRKCNYYCXRGI-QECWNONJNA-N
InChICode InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAsteraceaeBrachylaena ramiflora var. ramiflora Ref.
PlantaeErythroxylaceaeErythroxylum passerinum Ref.
PlantaeMalvaceaeAbutilon indicum Ref.
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