input word = C00046188

Metabolite InformationStructural formula
Name Nanjiol B
(+)-Nanjiol B
Formula C31H48O6
Mw 516.34508926
CAS RN 473739-39-8
C_ID C00046188 ,
InChIKey OECOVNJCWDRKDP-PIFGAJJZNA-N
InChICode InChI=1S/C31H48O6/c1-18(2)9-8-13-30(6,35)28-26(36-19(3)32)16-25-23-11-10-21-15-22(34)12-14-29(21,5)24(23)17-27(31(25,28)7)37-20(4)33/h15,18,23-28,35H,8-14,16-17H2,1-7H3/t23-,24+,25+,26+,27-,28-,29+,30+,31-/m1/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@]([C@@H](C1)OC(=O)C)([C@H]([C@H](C2)OC(=O)C)[C@](O)(C)CCCC(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea bayeri Ref.
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OrganismNephthea bayeri
ReferenceShao,J.Nat.Prod.,65,(2002),1675