input word = C00033627

Metabolite InformationStructural formula
Name Alisol P
Formula C30H48O7
Mw 520.34000389
CAS RN 1005191-19-4
C_ID C00033627 ,
InChIKey KKXUNIAWSGXCIU-DYEGTNCBNA-N
InChICode InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1
SMILES C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@H](C(C)(C)C(=O)O)CC[C@@](C)([C@@H]34)[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
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