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 C1[C@]2([C@@H]3[C@]([C@@H](C1)C(C)(C(=O)O)C)(CC(=O)O[C@H]3CC1=C(CC[C@]21C)[C@@H](C[C@@H]([C@H](C(O)(C)C)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
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