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 C1[C@H]2[C@]([C@H]3[C@](C1)([C@H](CC3)[C@](O)(C)CCC(=C)C(C)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)OC(=O)/C=C\c1ccc(cc1)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeSecurinega melanthesoides Ref.
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OrganismSecurinega melanthesoides
ReferenceSchutz,J.Nat.Prod.,61,(1998),96