input word = C00041118

Metabolite InformationStructural formula
Name Scutalpin J
Formula C29H34O8
Mw 510.22536806
CAS RN 156338-89-5
C_ID C00041118 ,
InChIKey WDFJMIVJJNOJGX-ZSZKXZFQNA-N
InChICode InChI=1S/C29H34O8/c1-19(30)35-18-29-22(10-7-12-28(29)17-36-28)26(2,13-11-20-14-24(31)34-16-20)27(3,33)15-23(29)37-25(32)21-8-5-4-6-9-21/h4-6,8-9,11,13-14,22-23,33H,7,10,12,15-18H2,1-3H3/b13-11+/t22-,23+,26+,27+,28+,29+/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)C[C@](C)(O)[C@](C)(/C=C/C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria orientalis ssp.sintenisii Ref.
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