input word = C00054591

Metabolite InformationStructural formula
Name Culinariside
Formula C45H87NO10
Mw 801.63299801
CAS RN 230295-19-9
C_ID C00054591
InChIKey CBRDIWBNFRUVPT-ZFKQEDCFSA-N
InChICode InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h16,20,36-43,45,47-53H,3-15,17-19,21-35H2,1-2H3,(H,46,54)/b20-16+/t36?,37?,38?,39-,40?,41-,42+,43-,45-/m1/s1
SMILES OC[C@H]1O[C@@H](OCC(NC(C(O)CCCCCCCCCCCCCCCCCC)=O)C(O)C(O)CCCCCC/C=C/CCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLens culinaris Ref.
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