input word = C00041122

Metabolite InformationStructural formula
Name Scutenisin
(-)-Scutenisin
Formula C28H42O9
Mw 522.28288294
CAS RN 220271-99-8
C_ID C00041122 ,
InChIKey RNCJRXUVVODHMB-VCFRFRMLNA-N
InChICode InChI=1S/C28H42O9/c1-16(2)22(31)35-20-21(36-23(32)17(3)4)28(13-29)18(8-7-9-27(28)15-34-27)24(5)10-11-26(37-25(20,24)6)12-19(30)33-14-26/h16-18,20-21,29H,7-15H2,1-6H3/t18-,20+,21+,24-,25+,26-,27+,28+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@@]1([C@]([C@H]([C@@H]3OC(=O)C(C)C)OC(=O)C(C)C)(O[C@@]3(CC1)COC(=O)C3)C)C)CO)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria orientalis ssp.sintenisii Ref.
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OrganismScutellaria orientalis ssp.sintenisii
ReferenceEzer,Phytochem.,49,(1998),1925