input word = C00049782

Metabolite InformationStructural formula
Name cis-Securinegin
(-)-cis-Securinegin
Formula C40H60O4
Mw 604.4491604
CAS RN 200068-41-3
C_ID C00049782 ,
InChIKey QKOAGENOBVHVOX-VLBKWMNTNA-N
InChICode InChI=1S/C40H60O4/c1-26(2)27(3)18-25-40(9,43)33-16-15-31-38(7)22-19-30-36(4,5)34(21-24-37(30,6)32(38)20-23-39(31,33)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-/m0/s1
SMILES C=C(CC[C@](C)(O)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=Cc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeSecurinega melanthesoides Ref.
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