input word = C00045080

Metabolite InformationStructural formula
Name Sterebin I
Formula C20H32O4
Mw 336.23005951
CAS RN 638198-82-0
C_ID C00045080 ,
InChIKey XWVGZNYHKHGOKZ-RNXPRDKQNA-N
InChICode InChI=1S/C20H32O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,12,14-17,22-24H,6,10-11H2,1-5H3/b8-7+,13-9+/t14-,15-,16+,17+,19+,20+/m1/s1
SMILES CC(/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C)=CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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