input word = C00041069

Metabolite InformationStructural formula
Name Nervosanin
(+)-Nervosanin
Formula C28H38O10
Mw 534.24649744
CAS RN 140614-24-0
C_ID C00041069 ,
InChIKey RPYGKZDOSOSDRG-RTROWJLHNA-N
InChICode InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)22-27(8)20(36-14(3)30)10-19(33)26(6,7)23(27)21(34)25(38-16(5)32)28(22,11-17)24(12)37-15(4)31/h17-20,22-25,33H,1,9-11H2,2-8H3/t17-,18-,19-,20-,22-,23+,24+,25-,27-,28?/m0/s1
SMILES C=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@]4(C)[C@@H](OC(C)=O)C[C@H](O)C(C)(C)[C@H]4C(=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
PlantaeLabiataeIsodon calcicola Ref.
PlantaeLamiaceaeRabdosia adenantha Ref.
PlantaeLamiaceaeRabdosia nervosa Ref.
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