input word = C00000692

Metabolite InformationStructural formula
Name Herpepentol
Formula C50H54O15
Mw 894.34627106
CAS RN 94818-13-0
C_ID C00000692 ,
InChIKey BXBQFZMPZDWGJY-UHFFFAOYNA-N
InChICode InChI=1S/C50H54O15/c1-57-39-11-24(6-8-37(39)55)10-29-23-62-44(33(29)19-51)26-12-30-35(21-53)46(64-49(30)41(16-26)59-3)28-14-32-36(22-54)47(65-50(32)43(18-28)61-5)27-13-31-34(20-52)45(63-48(31)42(17-27)60-4)25-7-9-38(56)40(15-25)58-2/h6-9,11-18,29,33-36,44-47,51-56H,10,19-23H2,1-5H3/t29-,33+,34+,35-,36-,44-,45+,46-,47-/m1/s1
SMILES COc1cc(CC2COC(c3cc(OC)c4c(c3)C(CO)C(c3cc(OC)c5c(c3)C(CO)C(c3cc(OC)c6c(c3)C(CO)C(c3ccc(O)c(OC)c3)O6)O5)O4)C2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeHerpetospermum caudigerum Wall. Ref.
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