input word = C00045590

Metabolite InformationStructural formula
Name 7-Isovaleroylcycloepiatalantin
(+)-7-Isovaleroylcycloepiatalantin
Formula C31H36O9
Mw 552.23593275
CAS RN 361554-03-2
C_ID C00045590 ,
InChIKey XCCVRHOIHNXBNH-YQAFOIOZNA-N
InChICode InChI=1S/C31H36O9/c1-16(2)13-20(33)38-23-21(34)30-19(32)8-11-29(30,15-37-26(30,3)4)18-7-10-27(5)22(17-9-12-36-14-17)39-25(35)24-31(27,40-24)28(18,23)6/h8-9,11-12,14,16,18,22-24H,7,10,13,15H2,1-6H3/t18-,22-,23-,24+,27-,28-,29?,30-,31+/m0/s1
SMILES C1(=O)O[C@H]([C@]2([C@]3([C@@H]1O3)[C@]1([C@H](CC2)[C@]23[C@@](C(=O)[C@@H]1OC(=O)CC(C)C)(C(OC2)(C)C)C(=O)C=C3)C)C)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia buxifolia Ref.
PlantaeRutaceaeSeverinia buxifolia Ref.
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OrganismSeverinia buxifolia
ReferenceWu,J.Nat.Prod.,64,(2001),1040