input word = C00032161

Metabolite InformationStructural formula
Name Siphonol D
(-)-Siphonol D
Formula C40H46O13
Mw 734.29384156
CAS RN 508172-12-1
C_ID C00032161 ,
InChIKey JVVJQHQBRIQJKT-SIUJPKMZNA-N
InChICode InChI=1S/C40H46O13/c1-8-38(7)20-27(52-34(45)25-15-11-9-12-16-25)31-39(21-49-22(2)41)28(19-29(44)40(31,48)36(38)47)37(5,6)32(51-24(4)43)30(50-23(3)42)33(39)53-35(46)26-17-13-10-14-18-26/h8-18,27-33,44,48H,1,19-21H2,2-7H3/t27-,28+,29-,30+,31-,32-,33+,38+,39+,40+/m1/s1
SMILES C=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](O)(C1=O)[C@H](O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]12COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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