input word = C00046869

Metabolite InformationStructural formula
Name Quadrangularic acid F
(+)-Quadrangularic acid F
Formula C31H48O8
Mw 548.33491851
CAS RN 254757-91-0
C_ID C00046869 ,
InChIKey MDZACYBINFCJBT-XIGMHCLINA-N
InChICode InChI=1S/C31H48O8/c1-26(2,39-37)12-7-8-18(24(34)35)19-11-13-28(4)20-9-10-21-29(5,25(36)38-6)22(32)16-23(33)31(21)17-30(20,31)15-14-27(19,28)3/h7,12,18-23,32-33,37H,8-11,13-17H2,1-6H3,(H,34,35)/b12-7+/t18-,19-,20+,21+,22+,23+,27-,28+,29+,30+,31-/m1/s1
SMILES C1[C@@H]([C@]([C@H]2[C@]3([C@H]1O)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](C/C=C/C(OO)(C)C)C(=O)O)C)C)C3)(C(=O)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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OrganismCombretum quadrangulare
ReferenceBanskota,J.Nat.Prod.,63,(2000),57