input word = C00033681

Metabolite InformationStructural formula
Name beta-Sitosterol palmitate
Formula C45H80O2
Mw 652.6158318
CAS RN 2308-85-2
C_ID C00033681 ,
InChIKey IWTJDVBNIUPPPB-JAEZOCIVNA-N
InChICode InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@H](C(C)C)CC)C)C)OC(=O)CCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePiptadenia macrocarpa Ref.
PlantaeNymphaeaceaeNymphaea caerulea Ref.
PlantaePiperaceaePiper betle Ref.
PlantaePteridaceaePteris wallichiana Ref.
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OrganismPiptadenia macrocarpa
ReferenceMiyauchi,Mokuzai Gakkaishi,22,(1976),47