input word = C00040871

Metabolite InformationStructural formula
Name Angustisepalin
(-)-Angustisepalin
Formula C22H24O8
Mw 416.14711774
CAS RN 220146-17-8
C_ID C00040871 ,
InChIKey CDSYOSGDCPHTBK-BSXRHVPVNA-N
InChICode InChI=1S/C22H24O8/c1-12-8-9-21(26)19(2)11-28-18(25)22(19,27)14-10-20(12,21)15(17(24)29-14)30-16(23)13-6-4-3-5-7-13/h3-7,12,14-15,26-27H,8-11H2,1-2H3/t12-,14-,15+,19+,20+,21+,22-/m1/s1
SMILES [C@]12([C@@]([C@@H]3OC(=O)[C@@H]([C@]4([C@@]1(CC[C@H]4C)O)C3)OC(=O)c1ccccc1)(C(=O)OC2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium angustisepalum Ref.
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OrganismIllicium angustisepalum
ReferenceSy,Phytochem.,49,(1998),1715