input word = C00030476

Metabolite InformationStructural formula
Name Herpetone
Formula C29H30O9
Mw 522.18898256
CAS RN 951677-22-8
C_ID C00030476 ,
InChIKey NKRVXSJMQLQTTM-VEAVWTHANA-N
InChICode InChI=1S/C29H30O9/c1-34-24-10-15(4-6-21(24)30)23(32)9-17-8-18(12-26(36-3)27(17)33)29-20-14-37-28(19(20)13-38-29)16-5-7-22(31)25(11-16)35-2/h4-8,10-12,19-20,28-31,33H,9,13-14H2,1-3H3/t19-,20-,28+,29+/m0/s1
SMILES [C@@H]1(OC[C@H]2[C@@H]1CO[C@@H]2c1cc(c(c(c1)CC(=O)c1ccc(c(c1)OC)O)O)OC)c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeHerpetospermum caudigerum WALL Ref.
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