input word = C00029663

Metabolite InformationStructural formula
Name Alisol B
Formula C30H48O4
Mw 472.35526002
CAS RN 18649-93-9
C_ID C00029663 ,
InChIKey GBJKHDVRXAVITG-SIUMVUPNNA-N
InChICode InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
SMILES C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientalis Ref.
PlantaeAlismataceaeAlisma plantago-aquatica var.orientalis Ref.
PlantaeRutaceaePhellodendron amurense Ref.
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