input word = C00049287

Metabolite InformationStructural formula
Name Remangilone A
(+)-Remangilone A
Formula C28H38O4
Mw 438.2770097
CAS RN 223473-85-6
C_ID C00049287 ,
InChIKey YOZREUUANSRXNA-WYHKTQJWNA-N
InChICode InChI=1S/C28H38O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,14,16-17,21,24,29,32H,8-13H2,1-6H3/t16-,17+,21+,24-,26+,27+,28?/m0/s1
SMILES CC1=C2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@]43C)[C@@]2(C)C=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhysenaceaePhysena madagascariensis Ref.
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