input word = C00049845

Metabolite InformationStructural formula
Name trans-Securinegin
Formula C40H60O4
Mw 604.4491604
CAS RN 200068-40-2
C_ID C00049845 ,
InChIKey SCEJDYBXNWSAHA-PMEBDHFHNA-N
InChICode InChI=1S/C40H60O4/c1-26(2)27(3)18-25-40(9,43)31-19-23-38(7)30(31)15-16-33-37(6)22-21-34(36(4,5)32(37)20-24-39(33,38)8)44-35(42)17-12-28-10-13-29(41)14-11-28/h10-14,17,26,30-34,41,43H,3,15-16,18-25H2,1-2,4-9H3/b17-12+/t30-,31+,32+,33-,34+,37-,38-,39-,40+/m1/s1
SMILES C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeSecurinega melanthesoides Ref.
zoom in