input word = C00046822

Metabolite InformationStructural formula
Name Methyl quadrangularate I
(+)-Methyl quadrangularate I
Formula C31H50O6
Mw 518.36073933
CAS RN 254754-48-8
C_ID C00046822 ,
InChIKey RESIIDXCURYNKX-KBIUDGFINA-N
InChICode InChI=1S/C31H50O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h19-25,32-35H,1,7-17H2,2-6H3/t19-,20+,21-,22-,23-,24-,25-,27+,28-,29-,30-,31+/m0/s1
SMILES C=C(C)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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