input word = C00045591

Metabolite InformationStructural formula
Name 7-Isovaleroylcycloseverinolide
(+)-7-Isovaleroylcycloseverinolide
Formula C31H38O9
Mw 554.25158281
CAS RN 361554-02-1
C_ID C00045591 ,
InChIKey UXWZSYLQGDNSBZ-CZPQIILINA-N
InChICode InChI=1S/C31H38O9/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/h8-9,11-12,14,16,18,21-24,34H,7,10,13,15H2,1-6H3/t18-,21+,22+,23-,24-,27+,28+,29-,30?,31-/m1/s1
SMILES C1(=O)O[C@H]([C@]2([C@]3([C@@H]1O3)[C@]1([C@@H](CC2)[C@]23[C@@]([C@H]([C@H]1OC(=O)CC(C)C)O)(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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OrganismAtalantia buxifolia
ReferenceWu, et al., Journal of Natural Products, 64, (2001), 1040