input word = C00048522

Metabolite InformationStructural formula
Name Rapisterone B
Formula C27H44O8
Mw 496.30361838
CAS RN 928621-17-4
C_ID C00048522 ,
InChIKey PXCOYCUFJMMDCP-WMKKFQPLNA-N
InChICode InChI=1S/C27H44O8/c1-14(2)17(28)11-21(31)25(5,33)20-7-9-26(34)16-10-22(32)27(35)13-19(30)18(29)12-24(27,4)15(16)6-8-23(20,26)3/h10,14-15,17-21,28-31,33-35H,6-9,11-13H2,1-5H3/t15-,17-,18-,19+,20-,21+,23+,24+,25+,26+,27+/m0/s1
SMILES C1[C@H]2C(=CC(=O)[C@]3([C@@]2(C[C@@H]([C@@H](C3)O)O)C)O)[C@]2([C@](C1)([C@H](CC2)[C@](O)(C)[C@@H](C[C@H](O)C(C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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