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 C1[C@H]2[C@]([C@]3([C@H](C1)[C@H](CC3)[C@@](CCC(=C)C(C)C)(C)O)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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