input word = C00024038

Metabolite InformationStructural formula
Name Scuterivulactone C1
Formula C29H38O9
Mw 530.25158281
CAS RN 114489-73-5
C_ID C00024038 ,
InChIKey BRKXSFGVJFNJSV-NJMOIZSSNA-N
InChICode InChI=1S/C29H38O9/c1-17(30)36-22-14-29(15-23(32)35-16-29)38-25(2)13-21(37-24(33)18-9-7-6-8-10-18)27(4)19(26(22,25)3)11-12-20(31)28(27,5)34/h6-10,19-22,31,34H,11-16H2,1-5H3/t19-,20-,21+,22+,25+,26+,27+,28+,29-/m1/s1
SMILES CC(=O)O[C@H]1C[C@@]2(COC(=O)C2)O[C@@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@H](O)[C@]3(C)O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rivularis Wall. Ref.
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