input word = C00030562

Metabolite InformationStructural formula
Name Jodrellin T
Formula C29H38O10
Mw 546.24649744
CAS RN 129145-61-5
C_ID C00030562 ,
InChIKey QSTDMNRGSLDDJV-FHGOODTFNA-N
InChICode InChI=1S/C29H38O10/c1-7-14(2)24(32)39-22-19-12-28(13-34-28)29(26(37-19)36-17(5)31)21(35-16(4)30)10-15(3)27(6,23(22)29)20-11-18-8-9-33-25(18)38-20/h7-9,15,18-23,25-26H,10-13H2,1-6H3/b14-7+/t15-,18-,19+,20+,21+,22-,23-,25+,26+,27-,28+,29-/m1/s1
SMILES [C@@H]1(OC(=O)C)[C@]23[C@]4(C[C@@H]([C@H]([C@@H]2[C@]([C@@H](C[C@@H]3OC(=O)C)C)([C@H]2O[C@H]3[C@@H](C2)C=CO3)C)OC(=O)/C(=C/C)/C)O1)CO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria strigillosa Ref.
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